Science.gov

Sample records for optimal solvent cycle

  1. Caustic-Side Solvent Extraction: Chemical and Physical Properties of the Optimized Solvent

    SciTech Connect

    Delmau, L.H.

    2002-10-08

    This work was undertaken to optimize the solvent used in the Caustic Side Solvent Extraction (CSSX) process and to measure key chemical and physical properties related to its performance in the removal of cesium from the alkaline high-level salt waste stored in tanks at the Savannah River Site. The need to adjust the solvent composition arose from the prior discovery that the previous baseline solvent was supersaturated with respect to the calixarene extractant. The following solvent-component concentrations in Isopar{reg_sign} L diluent are recommended: 0.007 M calix[4]arene-bis(tert-octylbenzo-crown-6) (BOBCalixC6) extractant, 0.75 M 1-(2,2,3,3-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol (Cs-7SB) phase modifier, and 0.003 M tri-n-octylamine (TOA) stripping aid. Criteria for this selection included BOBCalixC6 solubility, batch cesium distribution ratios (D{sub Cs}), calculated flowsheet robustness, third-phase formation, coalescence rate (dispersion numbers), and solvent density. Although minor compromises within acceptable limits were made in flowsheet robustness and solvent density, significant benefits were gained in lower risk of third-phase formation and lower solvent cost. Data are also reported for the optimized solvent regarding the temperature dependence of D{sub Cs} in extraction, scrubbing, and stripping (ESS); ESS performance on recycle; partitioning of BOBCalixC6, Cs-7SB, and TOA to aqueous process solutions; partitioning of organic anions; distribution of metals; solvent phase separation at low temperatures; solvent stability to elevated temperatures; and solvent density and viscosity. Overall, the technical risk of the CSSX process has been reduced by resolving previously identified issues and raising no new issues.

  2. Optimization of data life cycles

    NASA Astrophysics Data System (ADS)

    Jung, C.; Gasthuber, M.; Giesler, A.; Hardt, M.; Meyer, J.; Rigoll, F.; Schwarz, K.; Stotzka, R.; Streit, A.

    2014-06-01

    Data play a central role in most fields of science. In recent years, the amount of data from experiment, observation, and simulation has increased rapidly and data complexity has grown. Also, communities and shared storage have become geographically more distributed. Therefore, methods and techniques applied to scientific data need to be revised and partially be replaced, while keeping the community-specific needs in focus. The German Helmholtz Association project "Large Scale Data Management and Analysis" (LSDMA) aims to maximize the efficiency of data life cycles in different research areas, ranging from high energy physics to systems biology. In its five Data Life Cycle Labs (DLCLs), data experts closely collaborate with the communities in joint research and development to optimize the respective data life cycle. In addition, the Data Services Integration Team (DSIT) provides data analysis tools and services which are common to several DLCLs. This paper describes the various activities within LSDMA and focuses on the work performed in the DLCLs.

  3. On optimal velocity during cycling.

    PubMed

    Maroński, R

    1994-02-01

    This paper focuses on the solution of two problems related to cycling. One is to determine the velocity as a function of distance which minimizes the cyclist's energy expenditure in covering a given distance in a set time. The other is to determine the velocity as a function of the distance which minimizes time for fixed energy expenditure. To solve these problems, an equation of motion for the cyclist riding over arbitrary terrain is written using Newton's second law. This equation is used to evaluate either energy expenditure or time, and the minimization problems are solved using an optimal control formulation in conjunction with the method of Miele [Optimization Techniques with Applications to Aerospace Systems, pp. 69-98 (1962) Academic Press, New York]. Solutions to both optimal control problems are the same. The solutions are illustrated through two examples. In one example where the relative wind velocity is zero, the optimal cruising velocity is constant regardless of terrain. In the second, where the relative wind velocity fluctuates, the optimal cruising velocity varies.

  4. Multi-cycle boiling water reactor fuel cycle optimization

    SciTech Connect

    Ottinger, K.; Maldonado, G.I.

    2013-07-01

    In this work a new computer code, BWROPT (Boiling Water Reactor Optimization), is presented. BWROPT uses the Parallel Simulated Annealing (PSA) algorithm to solve the out-of-core optimization problem coupled with an in-core optimization that determines the optimum fuel loading pattern. However it uses a Haling power profile for the depletion instead of optimizing the operating strategy. The result of this optimization is the optimum new fuel inventory and the core loading pattern for the first cycle considered in the optimization. Several changes were made to the optimization algorithm with respect to other nuclear fuel cycle optimization codes that use PSA. Instead of using constant sampling probabilities for the solution perturbation types throughout the optimization as is usually done in PSA optimizations the sampling probabilities are varied to get a better solution and/or decrease runtime. The new fuel types available for use can be sorted into an array based on any number of parameters so that each parameter can be incremented or decremented, which allows for more precise fuel type selection compared to random sampling. Also, the results are sorted by the new fuel inventory of the first cycle for ease of comparing alternative solutions. (authors)

  5. Carboxymethylation of Cassava Starch in Different Solvents and Solvent-Water Mixtures: Optimization of Reaction Conditions

    NASA Astrophysics Data System (ADS)

    Nwokocha, Louis M.; Ogunmola, Gabiel B.

    The influence of reaction medium on carboxymethylation process was investigated by treating cassava starch with sodium monochloroacetate in different solvents and solvent-water mixtures under alkaline conditions. The amount of carboxyl groups introduced into the starch moiety was determined titrimetrically and used to calculate the Degree of Substitution (DS) and Reaction Efficiency (RE). The results showed that carboxymethylation is significantly affected by the nature of reaction medium at p<0.05. Carboxymethylation in different solvent-water mixtures showed that aqueous 80% n-propanol offered the best medium for carboxymethylation. Optimization of reaction conditions in aqueous 80% n-propanol showed that the best condition for carboxymethylation was at starch-liquor ratio of 1:3, NaOH/reagent molar ratio of 4.0 and reagent-starch molar ratio of 0.35. An increase in temperature was required to effect the reaction at shorter time. At 55°C the highest values of DS and RE achieved in 0.5 h would require three hours to achieve the same values of DS and RE at 45°C.

  6. Controlling Actinide Hydration in Mixed Solvent Systems: Towards Tunable Solvent Systems to Close the Fuel Cycle

    SciTech Connect

    Clark, Sue B.

    2016-10-31

    The goal of this project has been to define the extent of hydration the f-elements and other cations in mixed solvent electrolyte systems. Methanol-water and other mixed solvent systems have been studied, where the solvent dielectric constant was varied systematically. Thermodynamic and spectroscopic studies provide details concerning the energetics of complexation and other reactions of these cations. This information has also been used to advance new understanding of the behavior of these cations in a variety of systems, ranging from environmental studies, chromatographic approaches, and ionization processes for mass spectrometry.

  7. Life Cycle Assessment of an Ionic LIquid versus Traditional Solvents and Their Applications

    EPA Science Inventory

    Ionic liquids (ILs) have been claimed as "greener" replacements to traditional solvents. HOwever, the environmental impacts of the life cycle phases including the making of ILs, their application, separation, etc., and comparison with alternative methods have not been studied. Su...

  8. Life Cycle Assessment of an Ionic LIquid versus Traditional Solvents and Their Applications

    EPA Science Inventory

    Ionic liquids (ILs) have been claimed as "greener" replacements to traditional solvents. HOwever, the environmental impacts of the life cycle phases including the making of ILs, their application, separation, etc., and comparison with alternative methods have not been studied. Su...

  9. Brayton-cycle solvent recovery heat pump. A technical brief

    NASA Astrophysics Data System (ADS)

    1994-11-01

    The US Department of Energy's (DOE's) Office of Industrial Technologies (OIT) sponsors research and development (R & D) to improve the energy efficiency of American industry and to provide for fuel flexibility. Working closely with industry, OIT has successfully developed more than 50 new technologies that saved industry approximately 80 trillion Btu (84 quadrillion joules) of energy in 1992. More than 200 other projects are in various stages of development from laboratory research to field tests. The use of solvents in the industrial sector is widespread and results in the emission of volatile organic compounds (VOC's) to the atmosphere. These VOC emissions represent an economic loss to industry and contribute significantly to air pollution. To comply with increasingly strict environmental regulations while keeping costs down, industry must find efficient and cost-effective ways to control emissions from solvent use.

  10. Optimization of in-cell accelerated solvent extraction technique for the determination of organochlorine pesticides in river sediments.

    PubMed

    Duodu, Godfred Odame; Goonetilleke, Ashantha; Ayoko, Godwin A

    2016-04-01

    Organochlorine pesticides (OCPs) are ubiquitous environmental contaminants with adverse impacts on aquatic biota, wildlife and human health even at low concentrations. However, conventional methods for their determination in river sediments are resource intensive. This paper presents an approach that is rapid and also reliable for the detection of OCPs. Accelerated Solvent Extraction (ASE) with in-cell silica gel clean-up followed by Triple Quadrupole Gas Chromatograph Mass Spectrometry (GCMS/MS) was used to recover OCPs from sediment samples. Variables such as temperature, solvent ratio, adsorbent mass and extraction cycle were evaluated and optimized for the extraction. With the exception of Aldrin, which was unaffected by any of the variables evaluated, the recovery of OCPs from sediment samples was largely influenced by solvent ratio and adsorbent mass and, to some extent, the number of cycles and temperature. The optimized conditions for OCPs extraction in sediment with good recoveries were determined to be 4 cycles, 4.5 g of silica gel, 105 °C, and 4:3 v/v DCM: hexane mixture. With the exception of two compounds (α-BHC and Aldrin) whose recoveries were low (59.73 and 47.66% respectively), the recovery of the other pesticides were in the range 85.35-117.97% with precision <10% RSD. The method developed significantly reduces sample preparation time, the amount of solvent used, matrix interference, and is highly sensitive and selective.

  11. Optimization of an irreversible Stirling regenerative cycle

    NASA Astrophysics Data System (ADS)

    Aragón-González, G.; Cano-Bianco, M.; León-Galicia, A.; Rivera-Camacho, J. M.

    2015-01-01

    In this work a Stirling regenerative cycle with some irreversibilities is analyzed. The analyzed irreversibilities are located at the heat exchangers. They receive a finite amount of heat and heat leakage occurs between both reservoirs. Using this model, power and the efficiency at maximum power are obtained. Some optimal design parameters for the exchanger heat areas and thermal conductances are presented. The relation between the power, efficiency and the results obtained are shown graphically.

  12. Universal optimal working cycles of molecular motors.

    PubMed

    Efremov, Artem; Wang, Zhisong

    2011-04-07

    Molecular motors capable of directional track-walking or rotation are abundant in living cells, and inspire the emerging field of artificial nanomotors. Some biomotors can convert 90% of free energy from chemical fuels into usable mechanical work, and the same motors still maintain a speed sufficient for cellular functions. This study exposed a new regime of universal optimization that amounts to a thermodynamically best working regime for molecular motors but is unfamiliar in macroscopic engines. For the ideal case of zero energy dissipation, the universally optimized working cycle for molecular motors is infinitely slow like Carnot cycle for heat engines. But when a small amount of energy dissipation reduces energy efficiency linearly from 100%, the speed is recovered exponentially due to Boltzmann's law. Experimental data on a major biomotor (kinesin) suggest that the regime of universal optimization has been largely approached in living cells, underpinning the extreme efficiency-speed trade-off in biomotors. The universal optimization and its practical approachability are unique thermodynamic advantages of molecular systems over macroscopic engines in facilitating motor functions. The findings have important implications for the natural evolution of biomotors as well as the development of artificial counterparts.

  13. Toxic heavy metals: materials cycle optimization.

    PubMed Central

    Ayres, R U

    1992-01-01

    Long-term ecological sustainability is incompatible with an open materials cycle. The toxic heavy metals (arsenic, cadmium, chromium, copper, lead, mercury, silver, uranium/plutonium, zinc) exemplify the problem. These metals are being mobilized and dispersed into the environment by industrial activity at a rate far higher than by natural processes. Apart from losses to the environment resulting from mine wastes and primary processing, many of these metals are utilized in products that are inherently dissipative. Examples of such uses include fuels, lubricants, solvents, fire retardants, stabilizers, flocculants, pigments, biocides, and preservatives. To close the materials cycle, it will be necessary to accomplish two things. The first is to ban or otherwise discourage (e.g., by means of high severance taxes on virgin materials) dissipative uses of the above type. The second is to increase the efficiency of recycling of those materials that are not replaceable in principle. Here, also, economic instruments (such as returnable deposits) can be effective in some cases. A systems view of the problem is essential to assess the cost and effectiveness of alternative strategies. PMID:11607259

  14. Toxic Heavy Metals: Materials Cycle Optimization

    NASA Astrophysics Data System (ADS)

    Ayres, Robert U.

    1992-02-01

    Long-term ecological sustainability is incompatible with an open materials cycle. The toxic heavy metals (arsenic, cadmium, chromium, copper, lead, mercury, silver, uranium/plutonium, zinc) exemplify the problem. These metals are being mobilized and dispersed into the environment by industrial activity at a rate far higher than by natural processes. Apart from losses to the environment resulting from mine wastes and primary processing, many of these metals are utilized in products that are inherently dissipative. Examples of such uses include fuels, lubricants, solvents, fire retardants, stabilizers, flocculants, pigments, biocides, and preservatives. To close the materials cycle, it will be necessary to accomplish two things. The first is to ban or otherwise discourage (e.g., by means of high severance taxes on virgin materials) dissipative uses of the above type. The second is to increase the efficiency of recycling of those materials that are not replaceable in principle. Here, also, economic instruments (such as returnable deposits) can be effective in some cases. A systems view of the problem is essential to assess the cost and effectiveness of alternative strategies.

  15. Density Changes in the Optimized CSSX Solvent System

    SciTech Connect

    Lee, D.D.

    2002-11-25

    Density increases in caustic-side solvent extraction (CSSX) solvent have been observed in separate experimental programs performed by different groups of researchers. Such changes indicate a change in chemical composition. Increased density adversely affects separation of solvent from denser aqueous solutions present in the CSSX process. Identification and control of factors affecting solvent density are essential for design and operation of the centrifugal contactors. The goals of this research were to identify the factors affecting solvent density (composition) and to develop correlations between easily measured solvent properties (density and viscosity) and the chemical composition of the solvent, which will permit real-time determination and adjustment of the solvent composition. In evaporation experiments, virgin solvent was subjected to evaporation under quiescent conditions at 25, 35, and 45 C with continuously flowing dry air passing over the surface of the solvent. Density and viscosity were measured periodically, and chemical analysis was performed on the solvent samples. Chemical interaction tests were completed to determine if any chemical reaction takes place over extended contact time that changes the composition and/or physical properties. Solvent and simulant, solvent and strip solution, and solvent and wash solution were contacted continuously in agitated flasks. They were periodically sampled and the density measured (viscosity was also measured on some samples) and then submitted to the Chemical Sciences Division of Oak Ridge National Laboratory for analysis by nuclear magnetic resonance (NMR) spectrometry and high-performance liquid chromatography (HPLC) using the virgin solvent as the baseline. Chemical interaction tests showed that solvent densities and viscosities did not change appreciably during contact with simulant, strip, or wash solution. No effects on density and viscosity and no chemical changes in the solvent were noted within

  16. Environmental analysis of the life cycle emissions of 2-methyl tetrahydrofuran solvent manufactured from renewable resources.

    PubMed

    Slater, C Stewart; Savelski, Mariano J; Hitchcock, David; Cavanagh, Eduardo J

    2016-01-01

    An environmental analysis has been conducted to determine the cradle to gate life cycle emissions to manufacture the green solvent, 2-methyl tetrahydrofuran. The solvent is considered a greener chemical since it can be manufactured from renewable resources with a lower life cycle footprint. Analyses have been performed using different methods to show greenness in both its production and industrial use. This solvent can potentially be substituted for other ether and chlorinated solvents commonly used in organometallic and biphasic reactions steps in pharmaceutical and fine chemical syntheses. The 2-methyl tetrahydrofuran made from renewable agricultural by-products is marketed by Penn A Kem under the name ecoMeTHF™. The starting material, 2-furfuraldehyde (furfural), is produced from corn cob waste by converting the available pentosans by acid hydrolysis. An evaluation of each step in the process was necessary to determine the overall life cycle and specific CO2 emissions for each raw material/intermediate produced. Allocation of credits for CO2 from the incineration of solvents made from renewable feedstocks significantly reduced the overall carbon footprint. Using this approach, the overall life cycle emissions for production of 1 kg of ecoMeTHF™ were determined to be 0.191 kg, including 0.150 kg of CO2. Life cycle emissions generated from raw material manufacture represents the majority of the overall environmental impact. Our evaluation shows that using 2-methyl tetrahydrofuran in an industrial scenario results in a 97% reduction in emissions, when compared to typically used solvents such as tetrahydrofuran, made through a conventional chemical route.

  17. Environmental life cycle assessment on the separation of rare earth oxides through solvent extraction.

    PubMed

    Vahidi, Ehsan; Zhao, Fu

    2017-12-01

    Over the past decade, Rare Earth Elements (REEs) have gained special interests due to their significance in many industrial applications, especially those related to clean energy. While REEs production is known to cause damage to the ecosystem, only a handful of Life Cycle Assessment (LCA) investigations have been conducted in recent years, mainly due to lack of data and information. This is especially true for the solvent extraction separation of REEs from aqueous solution which is a challenging step in the REEs production route. In the current investigation, an LCA is carried out on a typical REE solvent extraction process using P204/kerosene and the energy/material flows and emissions data were collected from two different solvent extraction facilities in Inner Mongolia and Fujian provinces in China. In order to develop life cycle inventories, Ecoinvent 3 and SimaPro 8 software together with energy/mass stoichiometry and balance were utilized. TRACI and ILCD were applied as impact assessment tools and LCA outcomes were employed to examine and determine ecological burdens of the REEs solvent extraction operation. Based on the results, in comparison with the production of generic organic solvent in the Ecoinvent dataset, P204 production has greater burdens on all TRACI impact categories. However, due to the small amount of consumption, the contribution of P204 remains minimal. Additionally, sodium hydroxide and hydrochloric acid are the two impactful chemicals on most environmental categories used in the solvent extraction operation. On average, the solvent extraction step accounts for 30% of the total environmental impacts associated with individual REOs. Finally, opportunities and challenges for an enhanced environmental performance of the REEs solvent extraction operation were investigated. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Optimization of soy isoflavone extraction with different solvents using the simplex-centroid mixture design.

    PubMed

    Yoshiara, Luciane Yuri; Madeira, Tiago Bervelieri; Delaroza, Fernanda; da Silva, Josemeyre Bonifácio; Ida, Elza Iouko

    2012-12-01

    The objective of this study was to optimize the extraction of different isoflavone forms (glycosidic, malonyl-glycosidic, aglycone and total) from defatted cotyledon soy flour using the simplex-centroid experimental design with four solvents of varying polarity (water, acetone, ethanol and acetonitrile). The obtained extracts were then analysed by high-performance liquid chromatography. The profile of the different soy isoflavones forms varied with different extractions solvents. Varying the solvent or mixture used, the extraction of different isoflavones was optimized using the centroid-simplex mixture design. The special cubic model best fitted to the four solvents and its combination for soy isoflavones extraction. For glycosidic isoflavones extraction, the polar ternary mixture (water, acetone and acetonitrile) achieved the best extraction; malonyl-glycosidic forms were better extracted with mixtures of water, acetone and ethanol. Aglycone isoflavones, water and acetone mixture were best extracted and total isoflavones, the best solvents were ternary mixture of water, acetone and ethanol.

  19. Variational Optimization of an All-Atom Implicit Solvent Force Field to Match Explicit Solvent Simulation Data

    PubMed Central

    Bottaro, Sandro; Lindorff-Larsen, Kresten; Best, Robert B.

    2013-01-01

    The development of accurate implicit solvation models with low computational cost is essential for addressing many large-scale biophysical problems. Here, we present an efficient solvation term based on a Gaussian solvent-exclusion model (EEF1) for simulations of proteins in aqueous environment, with the primary aim of having a good overlap with explicit solvent simulations, particularly for unfolded and disordered states – as would be needed for multiscale applications. In order to achieve this, we have used a recently proposed coarse-graining procedure based on minimization of an entropy-related objective function to train the model to reproduce the equilibrium distribution obtained from explicit water simulations. Via this methodology, we have optimized both a charge screening parameter and a backbone torsion term against explicit solvent simulations of an α-helical and a β-stranded peptide. The performance of the resulting effective energy function, termed EEF1-SB, is tested with respect to the properties of folded proteins, the folding of small peptides or fast-folding proteins, and NMR data for intrinsically disordered proteins. The results show that EEF1-SB provides a reasonable description of a wide range of systems, but its key advantage over other methods tested is that it captures very well the structure and dimension of disordered or weakly structured peptides. EEF1-SB is thus a computationally inexpensive (~ 10 times faster than Generalized-Born methods) and transferable approximation for treating solvent effects. PMID:24748852

  20. Regenerator optimization for stirling cycle refrigeration

    SciTech Connect

    Colgate, S.A.; Petschek, A.G.

    1994-12-31

    A cryogenic regenerator for a Stirling cycle is discussed by minimizing the entropy gain as the criterion of performance. Only the gas losses are treated here. The authors argue that the optimum design corresponds to uniform channel flow with minimum turbulence. The optimization depends upon minimizing the sum of three sources of entropy generation, those due to transverse and parallel heat conduction and that due to friction with the wall. This leads to criteria for the width, length, and velocity of the gas, which for helium become W= 1.6{times}10{sup {minus}4} T{sub O}/({sigma}P{sub O}) cm, L= 6.7{times}10{sup {minus}5} T{sub O}/({sigma}{sup 2}P{sub O}) cm, and v/C{sub s} = {sigma}/2 respectively where {sigma} is the ratio (entropy gain)/(entropy transferred), C{sub s} is sound speed, P{sub O} is the pressure in atmospheres, and T{sub O} is the ratio of temperature to room temperature. The thermal properties of the channel wall must then accommodate the heat flow of the gas without substantially increasing the loss fraction. That problem is reserved to another paper.

  1. Regenerator optimization for Stirling cycle refrigeration II

    SciTech Connect

    Colgate, S.A.; Petschek, A.G.

    1994-07-01

    A cryogenic regenerator for a Stirling cycle is discussed using fractional loss or entropy gain as the criterion of performance. The gas losses are treated separately from heat storage medium losses. We argue that the optimum design corresponds to uniform channel flow with minimum turbulence where the gas velocity and channel width are optimized as a function of gas temperature. The maximization of heat transfer from the gas to the wall and the minimization of entropy production by friction leads to a gas flow velocity equal to sound speed times loss fraction, 1/{sigma}. This velocity and an axial thermal conductivity in the gas leads to a minimum channel width and characteristic length, L=T(dz/dT). A particular scaling of width, W{sup 2} = W{sub o}{sup 2}T{sup 1/2}, and length, L = L{sub o} T{sup {minus}1/2} leads to a design where longitudinal conduction decreases as T{sup 3/2} and the remaining two losses, transverse conduction and friction are equal and constant. The loss fraction, 1/{sigma}, must be made quite small, {approximately}(1/60) in order that the cumulative losses for a large temperature ratio like 300K to 4K, be small enough, like 20% to 40%. This is because half the entropy generated as a loss must be transported first to the cold end before returning to the hot end before being rejected. The dead volume ratio then determines the minimum frequency and with it and the pressure the necessary wall properties. The thermal properties of the channel wall must then accommodate this cyclic heat flow without substantially increasing the loss fraction. This generation of entropy in the walls is derived in terms of the wall heat capacity and thermal conductivity.

  2. Optimization of Turbine Engine Cycle Analysis with Analytic Derivatives

    NASA Technical Reports Server (NTRS)

    Hearn, Tristan; Hendricks, Eric; Chin, Jeffrey; Gray, Justin; Moore, Kenneth T.

    2016-01-01

    A new engine cycle analysis tool, called Pycycle, was built using the OpenMDAO framework. Pycycle provides analytic derivatives allowing for an efficient use of gradient-based optimization methods on engine cycle models, without requiring the use of finite difference derivative approximation methods. To demonstrate this, a gradient-based design optimization was performed on a turbofan engine model. Results demonstrate very favorable performance compared to an optimization of an identical model using finite-difference approximated derivatives.

  3. Life cycle analysis of solvent reduction in pharmaceutical synthesis using continuous adsorption for palladium removal.

    PubMed

    Slater, C Stewart; Savelski, Mariano J; Ruiz-Felix, Marie Nydia

    2013-01-01

    The life cycle emissions associated with the reduction of wastes from an adsorption process to remove palladium complexes in drug manufacture have been evaluated. The study assessed a green improvement to a process step in an active pharmaceutical ingredient synthesis where palladium catalyst is removed from a reaction mixture. The greener process uses a continuous adsorption system, composed of a more efficient adsorbent, consuming less organic solvent and rinse water, which results in less waste disposal. The newer process is also more energy and cost efficient from an operational perspective. There is a 94% reduction in the carbon footprint of the new process when compared to the current operation.

  4. Optimizing the surface density of polyethylene glycol chains by grafting from binary solvent mixtures

    NASA Astrophysics Data System (ADS)

    Arcot, Lokanathan; Ogaki, Ryosuke; Zhang, Shuai; Meyer, Rikke L.; Kingshott, Peter

    2015-06-01

    Polyethylene glycol (PEG) brushes are very effective at controlling non-specific deposition of biological material onto surfaces, which is of paramount importance to obtaining successful outcomes in biomaterials, tissue engineered scaffolds, biosensors, filtration membranes and drug delivery devices. We report on a simple 'grafting to' approach involving binary solvent mixtures that are chosen based on Hansen's solubility parameters to optimize the solubility of PEG thereby enabling control over the graft density. The PEG thiol-gold model system enabled a thorough characterization of PEG films formed, while studies on a PEG silane-silicon system examined the versatility to be applied to any substrate-head group system by choosing an appropriate solvent pair. The ability of PEG films to resist non-specific adsorption of proteins was quantitatively assessed by full serum exposure studies and the binary solvent strategy was found to produce PEG films with optimal graft density to efficiently resist protein adsorption.

  5. Sensitivity analysis and optimization of the nuclear fuel cycle

    SciTech Connect

    Passerini, S.; Kazimi, M. S.; Shwageraus, E.

    2012-07-01

    A sensitivity study has been conducted to assess the robustness of the conclusions presented in the MIT Fuel Cycle Study. The Once Through Cycle (OTC) is considered as the base-line case, while advanced technologies with fuel recycling characterize the alternative fuel cycles. The options include limited recycling in LWRs and full recycling in fast reactors and in high conversion LWRs. Fast reactor technologies studied include both oxide and metal fueled reactors. The analysis allowed optimization of the fast reactor conversion ratio with respect to desired fuel cycle performance characteristics. The following parameters were found to significantly affect the performance of recycling technologies and their penetration over time: Capacity Factors of the fuel cycle facilities, Spent Fuel Cooling Time, Thermal Reprocessing Introduction Date, and in core and Out-of-core TRU Inventory Requirements for recycling technology. An optimization scheme of the nuclear fuel cycle is proposed. Optimization criteria and metrics of interest for different stakeholders in the fuel cycle (economics, waste management, environmental impact, etc.) are utilized for two different optimization techniques (linear and stochastic). Preliminary results covering single and multi-variable and single and multi-objective optimization demonstrate the viability of the optimization scheme. (authors)

  6. Optimization of life cycle management costs

    SciTech Connect

    Banerjee, A.K.

    1994-12-31

    As can be seen from the case studies, a LCM program needs to address and integrate, in the decision process, technical, political, licensing, remaining plant life, component replacement cycles, and financial issues. As part of the LCM evaluations, existing plant programs, ongoing replacement projects, short and long-term operation and maintenance issues, and life extension strategies must be considered. The development of the LCM evaluations and the cost benefit analysis identifies critical technical and life cycle cost parameters. These {open_quotes}discoveries{close_quotes} result from the detailed and effective use of a consistent, quantifiable, and well documented methodology. The systematic development and implementation of a plant-wide LCM program provides for an integrated and structured process that leads to the most practical and effective recommendations. Through the implementation of these recommendations and cost effective decisions, the overall power production costs can be controlled and ultimately lowered.

  7. Optimization of flavanones extraction by modulating differential solvent densities and centrifuge temperatures.

    PubMed

    Chebrolu, Kranthi K; Jayaprakasha, G K; Jifon, J; Patil, Bhimanagouda S

    2011-07-15

    Understanding the factors influencing flavonone extraction is critical for the knowledge in sample preparation. The present study was focused on the extraction parameters such as solvent, heat, centrifugal speed, centrifuge temperature, sample to solvent ratio, extraction cycles, sonication time, microwave time and their interactions on sample preparation. Flavanones were analyzed in a high performance liquid chromatography (HPLC) and later identified by liquid chromatography and mass spectrometry (LC-MS). The five flavanones were eluted by a binary mobile phase with 0.03% phosphoric acid and acetonitrile in 20 min and detected at 280 nm, and later identified by mass spectral analysis. Dimethylsulfoxide (DMSO) and dimethyl formamide (DMF) had optimum extraction levels of narirutin, naringin, neohesperidin, didymin and poncirin compared to methanol (MeOH), ethanol (EtOH) and acetonitrile (ACN). Centrifuge temperature had a significant effect on flavanone distribution in the extracts. The DMSO and DMF extracts had homogeneous distribution of flavanones compared to MeOH, EtOH and ACN after centrifugation. Furthermore, ACN showed clear phase separation due to differential densities in the extracts after centrifugation. The number of extraction cycles significantly increased the flavanone levels during extraction. Modulating the sample to solvent ratio increased naringin quantity in the extracts. Current research provides critical information on the role of centrifuge temperature, extraction solvent and their interactions on flavanone distribution in extracts. Published by Elsevier B.V.

  8. Optimization of Turbine Engine Cycle Analysis with Analytic Derivatives

    NASA Technical Reports Server (NTRS)

    Hearn, Tristan; Hendricks, Eric; Chin, Jeffrey; Gray, Justin; Moore, Kenneth T.

    2016-01-01

    A new engine cycle analysis tool, called Pycycle, was recently built using the OpenMDAO framework. This tool uses equilibrium chemistry based thermodynamics, and provides analytic derivatives. This allows for stable and efficient use of gradient-based optimization and sensitivity analysis methods on engine cycle models, without requiring the use of finite difference derivative approximation methods. To demonstrate this, a gradient-based design optimization was performed on a multi-point turbofan engine model. Results demonstrate very favorable performance compared to an optimization of an identical model using finite-difference approximated derivatives.

  9. Regenerator optimization for Stirling cycle refrigeration

    SciTech Connect

    Colgate, S.A.; Petschek, A.G.

    1993-08-01

    A cryogenic regenerator for a Stirling cycle is designed using a fractional loss or entropy gain as the criterion of performance. The gas losses are treated separately from heat storage medium losses. For the optimum channel flow nonturbulent design, the maximization of heat transfer from the gas to the wall and the minimization of entropy production by friction leads to a gas flow velocity criterion of sound speed times loss fraction. This velocity with a given frequency leads to a Stirling cycle dead volume ratio and consequently a channel of specified length and width. The thermal properties of the channel wall must then accommodate this cyclic heat flow without substantially increasing the loss fraction. It is found that stainless steel or plastics are adequate for 30 to 300 K, but that lower temperature stages 4 to 30 K require either a special lead alloy of moderate conductivity or a segmented anisotropic construction of alternate highly conducting lead layers and alternate insulating glass or epoxy fiber glass spacers. An overall efficiency of {congruent} 50% of Carnot is predicted at a frequency of 30 Hz and a pressure of one atmosphere.

  10. Sequential deposition: optimization of solvent swelling for high-performance polymer solar cells.

    PubMed

    Liu, Yao; Liu, Feng; Wang, Hsin-Wei; Nordlund, Dennis; Sun, Zhiwei; Ferdous, Sunzida; Russell, Thomas P

    2015-01-14

    Organic solar cells based on a typical DPP polymer were systematically optimized by a solvent swelling assisted sequential deposition process. We investigated the influence of solvent swelling on the morphology and structure order of the swollen film and the resultant device performance. Morphological and structural characterization confirmed the realization of ideal bulk heterojunctions using a suitable swelling solvent. A trilayered morphology was also found with the conjugated polymer concentrated bottom layer, PC71BM concentrated top layer, and interpenetrated networks of donor and acceptor in the middle by solvent swelling instead of thermal annealing in the sequential solution processing method. We proposed a simple strategy to optimize the sequential deposition fabricated devices by tuning the concentration of the PC71BM solution instead of thermal annealing. The best device showed a PCE of 7.59% with a Voc of 0.61 V, Jsc of 17.95 mA/cm(2), and FF of 69.6%, which is the highest reported efficiency for devices fabricated by a sequential processing method and among the best results for DPP polymers.

  11. Maximum cycle work output optimization for generalized radiative law Otto cycle engines

    NASA Astrophysics Data System (ADS)

    Xia, Shaojun; Chen, Lingen; Sun, Fengrui

    2016-11-01

    An Otto cycle internal combustion engine which includes thermal and friction losses is investigated by finite-time thermodynamics, and the optimization objective is the maximum cycle work output. The thermal energy transfer from the working substance to the cylinder inner wall follows the generalized radiative law (q∝Δ (Tn)). Under the condition that all of the fuel consumption, the compression ratio and the cycle period are given, the optimal piston trajectories for both the examples with unlimited and limited accelerations on every stroke are determined, and the cycle-period distribution among all strokes is also optimized. Numerical calculation results for the case of radiative law are provided and compared with those obtained for the cases of Newtonian law and linear phenomenological law. The results indicate that the optimal piston trajectory on each stroke contains three sections, which consist of an original maximum-acceleration and a terminal maximum-deceleration parts; for the case of radiative law, optimizing the piston motion path can achieve an improvement of more than 20% in both the cycle-work output and the second-law efficiency of the Otto cycle compared with the conventional near-sinusoidal operation, and heat transfer mechanisms have both qualitative and quantitative influences on the optimal paths of piston movements.

  12. Advanced Nuclear Fuel Cycle Transitions: Optimization, Modeling Choices, and Disruptions

    NASA Astrophysics Data System (ADS)

    Carlsen, Robert W.

    Many nuclear fuel cycle simulators have evolved over time to help understan the nuclear industry/ecosystem at a macroscopic level. Cyclus is one of th first fuel cycle simulators to accommodate larger-scale analysis with it liberal open-source licensing and first-class Linux support. Cyclus also ha features that uniquely enable investigating the effects of modeling choices o fuel cycle simulators and scenarios. This work is divided into thre experiments focusing on optimization, effects of modeling choices, and fue cycle uncertainty. Effective optimization techniques are developed for automatically determinin desirable facility deployment schedules with Cyclus. A novel method fo mapping optimization variables to deployment schedules is developed. Thi allows relationships between reactor types and scenario constraints to b represented implicitly in the variable definitions enabling the usage o optimizers lacking constraint support. It also prevents wasting computationa resources evaluating infeasible deployment schedules. Deployed power capacit over time and deployment of non-reactor facilities are also included a optimization variables There are many fuel cycle simulators built with different combinations o modeling choices. Comparing results between them is often difficult. Cyclus flexibility allows comparing effects of many such modeling choices. Reacto refueling cycle synchronization and inter-facility competition among othe effects are compared in four cases each using combinations of fleet of individually modeled reactors with 1-month or 3-month time steps. There are noticeable differences in results for the different cases. The larges differences occur during periods of constrained reactor fuel availability This and similar work can help improve the quality of fuel cycle analysi generally There is significant uncertainty associated deploying new nuclear technologie such as time-frames for technology availability and the cost of buildin advanced reactors

  13. Optimizing product life cycle processes in design phase

    NASA Astrophysics Data System (ADS)

    Faneye, Ola. B.; Anderl, Reiner

    2002-02-01

    Life cycle concepts do not only serve as basis in assisting product developers understand the dependencies between products and their life cycles, they also help in identifying potential opportunities for improvement in products. Common traditional concepts focus mainly on energy and material flow across life phases, necessitating the availability of metrics derived from a reference product. Knowledge of life cycle processes won from an existing product is directly reused in its redesign. Depending on sales volume nevertheless, the environmental impact before product optimization can be substantial. With modern information technologies today, computer-aided life cycle methodologies can be applied well before product use. On the basis of a virtual prototype, life cycle processes are analyzed and optimized, using simulation techniques. This preventive approach does not only help in minimizing (or even eliminating) environmental burdens caused by product, costs incurred due to changes in real product can also be avoided. The paper highlights the relationship between product and life cycle and presents a computer-based methodology for optimizing the product life cycle during design, as presented by SFB 392: Design for Environment - Methods and Tools at Technical University, Darmstadt.

  14. Optimizing conceptual aircraft designs for minimum life cycle cost

    NASA Technical Reports Server (NTRS)

    Johnson, Vicki S.

    1989-01-01

    A life cycle cost (LCC) module has been added to the FLight Optimization System (FLOPS), allowing the additional optimization variables of life cycle cost, direct operating cost, and acquisition cost. Extensive use of the methodology on short-, medium-, and medium-to-long range aircraft has demonstrated that the system works well. Results from the study show that optimization parameter has a definite effect on the aircraft, and that optimizing an aircraft for minimum LCC results in a different airplane than when optimizing for minimum take-off gross weight (TOGW), fuel burned, direct operation cost (DOC), or acquisition cost. Additionally, the economic assumptions can have a strong impact on the configurations optimized for minimum LCC or DOC. Also, results show that advanced technology can be worthwhile, even if it results in higher manufacturing and operating costs. Examining the number of engines a configuration should have demonstrated a real payoff of including life cycle cost in the conceptual design process: the minimum TOGW of fuel aircraft did not always have the lowest life cycle cost when considering the number of engines.

  15. Optimization of solid lipid nanoparticles prepared by a single emulsification-solvent evaporation method.

    PubMed

    Pooja, Deep; Tunki, Lakshmi; Kulhari, Hitesh; Reddy, Bharathi B; Sistla, Ramakrishna

    2016-03-01

    This data article contains the data related to the research article "Characterization, biorecognitive activity and stability of WGA grafted lipid nanostructures for the controlled delivery of rifampicin" (Pooja et al. 2015) [1]. In the present study, SLN were prepared by a single emulsification-solvent evaporation method and the various steps of SLN preparation are shown in a flow chart. The preparation of SLN was optimized for various formulation variables including type and quantity of lipid, surfactant, amount of co-surfactant and volume of organic phase. Similarly, effect of variables related to homogezation, sonication and stirring processes, on the size and surface potential of SLN was determined and optimized.

  16. Optimization of solvent extraction of shea butter (Vitellaria paradoxa) using response surface methodology and its characterization.

    PubMed

    Ajala, E O; Aberuagba, F; Olaniyan, A M; Onifade, K R

    2016-01-01

    Shea butter (SB) was extracted from its kernel by using n-hexane as solvent in an optimization study. This was to determine the optima operating variables that would give optimum yield of SB and to study the effect of solvent on the physico-chemical properties and chemical composition of SB extracted using n-hexane. A Box-behnken response surface methodology (RSM) was used for the optimization study while statistical analysis using ANOVA was used to test the significance of the variables for the process. The variables considered for this study were: sample weight (g), solvent volume (ml) and extraction time (min). The physico-chemical properties of SB extracted were determined using standard methods and Fourier Transform Infrared Spectroscopy (FTIR) for the chemical composition. The results of RSM analysis showed that the three variables investigated have significant effect (p < 0.05) on the %yield of SB, with R(2) - 0.8989 which showed good fitness of a second-order model. Based on this model, optima operating variables for the extraction process were established as: sample weight of 30.04 g, solvent volume of 346.04 ml and extraction time of 40 min, which gave 66.90 % yield of SB. Furthermore, the result of the physico-chemical properties obtained for the shea butter extracted using traditional method (SBT) showed that it is a more suitable raw material for food, biodiesel production, cosmetics, medicinal and pharmaceutical purposes than shea butter extracted using solvent extraction method (SBS). Fourier Transform Infrared Spectroscopy (FTIR) results obtained for the two samples were similar to what was obtainable from other vegetable oil.

  17. Derivation of Reliable Geometries in QM Calculations of DNA Structures: Explicit Solvent QM/MM and Restrained Implicit Solvent QM Optimizations of G-Quadruplexes.

    PubMed

    Gkionis, Konstantinos; Kruse, Holger; Šponer, Jiří

    2016-04-12

    Modern dispersion-corrected DFT methods have made it possible to perform reliable QM studies on complete nucleic acid (NA) building blocks having hundreds of atoms. Such calculations, although still limited to investigations of potential energy surfaces, enhance the portfolio of computational methods applicable to NAs and offer considerably more accurate intrinsic descriptions of NAs than standard MM. However, in practice such calculations are hampered by the use of implicit solvent environments and truncation of the systems. Conventional QM optimizations are spoiled by spurious intramolecular interactions and severe structural deformations. Here we compare two approaches designed to suppress such artifacts: partially restrained continuum solvent QM and explicit solvent QM/MM optimizations. We report geometry relaxations of a set of diverse double-quartet guanine quadruplex (GQ) DNA stems. Both methods provide neat structures without major artifacts. However, each one also has distinct weaknesses. In restrained optimizations, all errors in the target geometries (i.e., low-resolution X-ray and NMR structures) are transferred to the optimized geometries. In QM/MM, the initial solvent configuration causes some heterogeneity in the geometries. Nevertheless, both approaches represent a decisive step forward compared to conventional optimizations. We refine earlier computations that revealed sizable differences in the relative energies of GQ stems computed with AMBER MM and QM. We also explore the dependence of the QM/MM results on the applied computational protocol.

  18. Optimization of deep eutectic solvent-based ultrasound-assisted extraction of polysaccharides from Dioscorea opposita Thunb.

    PubMed

    Zhang, Lijin; Wang, Maoshan

    2017-02-01

    In this study, deep eutectic solvents were proposed for the ultrasound-assisted extraction of polysaccharides from Dioscorea opposita Thunb. Several deep eutectic solvents were prepared for the extraction of polysaccharides, among which the deep eutectic solvent composed of choline chloride and 1,4-butanediol was proved to be suitable for the extraction. Based on the screening of single-factor experiment design and orthogonal experiment design, three experimental factors were optimized for the Box-Behnken experimental design combined with response surface methodology, which gave the optimal extraction conditions: water content of 32.89%(v/v), extraction temperature of 94.00°C, and the extraction time of 44.74min. The optimal extraction conditions could supply higher extraction yield than those of hot water extraction and water-based ultrasound-assisted extraction. Therefore, deep eutectic solvents were an excellent extraction solvent alternative to the extraction of polysaccharides from sample matrices.

  19. Modeling and optimization of a hybrid solar combined cycle (HYCS)

    NASA Astrophysics Data System (ADS)

    Eter, Ahmad Adel

    2011-12-01

    The main objective of this thesis is to investigate the feasibility of integrating concentrated solar power (CSP) technology with the conventional combined cycle technology for electric generation in Saudi Arabia. The generated electricity can be used locally to meet the annual increasing demand. Specifically, it can be utilized to meet the demand during the hours 10 am-3 pm and prevent blackout hours, of some industrial sectors. The proposed CSP design gives flexibility in the operation system. Since, it works as a conventional combined cycle during night time and it switches to work as a hybrid solar combined cycle during day time. The first objective of the thesis is to develop a thermo-economical mathematical model that can simulate the performance of a hybrid solar-fossil fuel combined cycle. The second objective is to develop a computer simulation code that can solve the thermo-economical mathematical model using available software such as E.E.S. The developed simulation code is used to analyze the thermo-economic performance of different configurations of integrating the CSP with the conventional fossil fuel combined cycle to achieve the optimal integration configuration. This optimal integration configuration has been investigated further to achieve the optimal design of the solar field that gives the optimal solar share. Thermo-economical performance metrics which are available in the literature have been used in the present work to assess the thermo-economic performance of the investigated configurations. The economical and environmental impact of integration CSP with the conventional fossil fuel combined cycle are estimated and discussed. Finally, the optimal integration configuration is found to be solarization steam side in conventional combined cycle with solar multiple 0.38 which needs 29 hectare and LEC of HYCS is 63.17 $/MWh under Dhahran weather conditions.

  20. Composition optimization and stability testing of a parenteral antifungal solution based on a ternary solvent system.

    PubMed

    Kovács, Kristóf; Antal, István; Stampf, György; Klebovich, Imre; Ludányi, Krisztina

    2010-03-01

    An intravenous solution is a dosage forms intended for administration into the bloodstream. This route is the most rapid and the most bioavailable method of getting drugs into systemic circulation, and therefore it is also the most liable to cause adverse effects. In order to reduce the possibility of side effects and to ensure adequate clinical dosage of the formulation, the primarily formulated composition should be optimized. It is also important that the composition should retain its therapeutic effectiveness and safety throughout the shelf-life of the product. This paper focuses on the optimization and stability testing of a parenteral solution containing miconazole and ketoconazole solubilized with a ternary solvent system as model drugs. Optimization of the solvent system was performed based on assessing the risk/benefit ratio of the composition and its properties upon dilution. Stability tests were conducted based on the EMEA (European Medicines Agency) "guideline on stability testing: stability testing of existing active substances and related finished products". Experiments show that both the amount of co-solvent and surface active agent of the solvent system could substantially be reduced, while still maintaining adequate solubilizing power. It is also shown that the choice of various containers affects the stability of the compositions. It was concluded that by assessing the risk/benefit ratio of solubilizing power versus toxicity, the concentration of excipients could be considerably decreased while still showing a powerful solubilizing effect. It was also shown that a pharmaceutically acceptable shelf-life could be assigned to the composition, indicating good long-term stability.

  1. Optimization by response surface methodology of lutein recovery from paprika leaves using accelerated solvent extraction.

    PubMed

    Kang, Jae-Hyun; Kim, Suna; Moon, BoKyung

    2016-08-15

    In this study, we used response surface methodology (RSM) to optimize the extraction conditions for recovering lutein from paprika leaves using accelerated solvent extraction (ASE). The lutein content was quantitatively analyzed using a UPLC equipped with a BEH C18 column. A central composite design (CCD) was employed for experimental design to obtain the optimized combination of extraction temperature (°C), static time (min), and solvent (EtOH, %). The experimental data obtained from a twenty sample set were fitted to a second-order polynomial equation using multiple regression analysis. The adjusted coefficient of determination (R(2)) for the lutein extraction model was 0.9518, and the probability value (p=0.0000) demonstrated a high significance for the regression model. The optimum extraction conditions for lutein were temperature: 93.26°C, static time: 5 min, and solvent: 79.63% EtOH. Under these conditions, the predicted extraction yield of lutein was 232.60 μg/g.

  2. Cycling Transcriptional Networks Optimize Energy Utilization on a Genome Scale.

    PubMed

    Wang, Guang-Zhong; Hickey, Stephanie L; Shi, Lei; Huang, Hung-Chung; Nakashe, Prachi; Koike, Nobuya; Tu, Benjamin P; Takahashi, Joseph S; Konopka, Genevieve

    2015-12-01

    Genes expressing circadian RNA rhythms are enriched for metabolic pathways, but the adaptive significance of cyclic gene expression remains unclear. We estimated the genome-wide synthetic and degradative cost of transcription and translation in three organisms and found that the cost of cycling genes is strikingly higher compared to non-cycling genes. Cycling genes are expressed at high levels and constitute the most costly proteins to synthesize in the genome. We demonstrate that metabolic cycling is accelerated in yeast grown under higher nutrient flux and the number of cycling genes increases ∼40%, which are achieved by increasing the amplitude and not the mean level of gene expression. These results suggest that rhythmic gene expression optimizes the metabolic cost of global gene expression and that highly expressed genes have been selected to be downregulated in a cyclic manner for energy conservation.

  3. Wood energy fuel cycle optimization in beech and spruce forests

    NASA Astrophysics Data System (ADS)

    Meyer, Nickolas K.; Mina, Marco

    2012-03-01

    A novel synergistic approach to reducing emissions from residential wood combustion (RWC) is presented. Wood energy fuel cycle optimization (FCO) aims to provide cleaner burning fuels through optimization of forestry and renewable energy management practices. In this work, beech and spruce forests of average and high quality were modelled and analysed to determine the volume of fuel wood and its associated bark fraction produced during typical forestry cycles. Two separate fuel wood bark production regimes were observed for beech trees, while only one production regime was observed for spruce. The single tree and stand models were combined with existing thinning parameters to replicate existing management practices. Utilizing estimates of initial seedling numbers and existing thinning patterns a dynamic model was formed that responded to changes in thinning practices. By varying the thinning parameters, this model enabled optimization of the forestry practices for the reduction of bark impurities in the fuel wood supply chain. Beech forestry cycles responded well to fuel cycle optimization with volume reductions of bark from fuel wood of between ˜10% and ˜20% for average and high quality forest stands. Spruce, on the other hand, was fairly insensitive to FCO with bark reductions of 0-5%. The responsiveness of beech to FCO further supports its status as the preferred RWC fuel in Switzerland. FCO could easily be extended beyond Switzerland and applied across continental Europe and North America.

  4. Optimizing the electrical properties of PEDOT:PSS films by co-solvents and their application in polymer photovoltaic cells

    NASA Astrophysics Data System (ADS)

    Pathak, C. S.; Singh, J. P.; Singh, R.

    2017-09-01

    A simple optimizing approach that improves the electrical properties of poly (3,4-ethylenedioxylthiophene):poly(styrenesulfonate) (PEDOT:PSS) films and their application in heterojunction diodes and polymer photovoltaic cells is presented in this paper. The optimizing process is performed by mixing the organic solvents n-methyl-2-pyrrolidone and methanol along with dimethyl sulfoxide into PEDOT:PSS solution achieving the facile combination of the solvent effect. Electrical conductivity varies from 0.16 to 194 S/cm by variation in the concentration of n-methyl-2-pyrrolidone. It is shown that the enhancement in conductivity of PEDOT:PSS films with co-solvents by three orders of magnitude is achieved compared to pristine PEDOT:PSS with transparency >92% in the visible region. The heterojunction diodes fabricated with co-solvents studied in this work showed rectifying behavior, and polymer photovoltaic cells fabricated with the co-solvents exhibited photovoltaic performance.

  5. Optimized Li-Ion Electrolytes Containing Fluorinated Ester Co-Solvents

    NASA Technical Reports Server (NTRS)

    Prakash, G. K. Surya; Smart, Marshall; Smith, Kiah; Bugga, Ratnakumar

    2010-01-01

    A number of experimental lithium-ion cells, consisting of MCMB (meso-carbon microbeads) carbon anodes and LiNi(0.8)Co(0.2)O2 cathodes, have been fabricated with increased safety and expanded capability. These cells serve to verify and demonstrate the reversibility, low-temperature performance, and electrochemical aspects of each electrode as determined from a number of electrochemical characterization techniques. A number of Li-ion electrolytes possessing fluorinated ester co-solvents, namely trifluoroethyl butyrate (TFEB) and trifluoroethyl propionate (TFEP), were demonstrated to deliver good performance over a wide temperature range in experimental lithium-ion cells. The general approach taken in the development of these electrolyte formulations is to optimize the type and composition of the co-solvents in ternary and quaternary solutions, focusing upon adequate stability [i.e., EC (ethylene carbonate) content needed for anode passivation, and EMC (ethyl methyl carbonate) content needed for lowering the viscosity and widening the temperature range, while still providing good stability], enhancing the inherent safety characteristics (incorporation of fluorinated esters), and widening the temperature range of operation (the use of both fluorinated and non-fluorinated esters). Further - more, the use of electrolyte additives, such as VC (vinylene carbonate) [solid electrolyte interface (SEI) promoter] and DMAc (thermal stabilizing additive), provide enhanced high-temperature life characteristics. Multi-component electrolyte formulations enhance performance over a temperature range of -60 to +60 C. With the need for more safety with the use of these batteries, flammability was a consideration. One of the solvents investigated, TFEB, had the best performance with improved low-temperature capability and high-temperature resilience. This work optimized the use of TFEB as a co-solvent by developing the multi-component electrolytes, which also contain non

  6. Optimization of solid lipid nanoparticles prepared by a single emulsification-solvent evaporation method

    PubMed Central

    Pooja, Deep; Tunki, Lakshmi; Kulhari, Hitesh; Reddy, Bharathi B.; Sistla, Ramakrishna

    2015-01-01

    This data article contains the data related to the research article “Characterization, biorecognitive activity and stability of WGA grafted lipid nanostructures for the controlled delivery of rifampicin” (Pooja et al. 2015) [1]. In the present study, SLN were prepared by a single emulsification-solvent evaporation method and the various steps of SLN preparation are shown in a flow chart. The preparation of SLN was optimized for various formulation variables including type and quantity of lipid, surfactant, amount of co-surfactant and volume of organic phase. Similarly, effect of variables related to homogezation, sonication and stirring processes, on the size and surface potential of SLN was determined and optimized. PMID:26759823

  7. Optimal mixing rate in linear solvent strength gradient liquid chromatography. Balanced mixing program.

    PubMed

    Blumberg, Leonid M; Desmet, Gert

    2016-12-09

    The mixing rate (Rϕ) is the temporal rate of increase in the solvent strength in gradient LC. The optimal Rϕ (Rϕ,Opt) is the one at which a required peak capacity of gradient LC analysis is obtained in the shortest time. The balanced mixing program is a one where, for better separation of early eluting solutes, the mixing ramp is preceded by a balanced isocratic hold of the duration depending on Rϕ. The improvement in the separation of the earlier eluites due to the balanced programming has been evaluated. The value of Rϕ,Opt depends on the solvent composition range covered by the mixing ramp and on the column pressure conditions. The Rϕ,Opt for a column operating at maximum instrumental pressure is different from Rϕ,Opt for a column operating below the instrumental pressure limit. On the other hand, it has been shown that the difference in the Rϕ,Opt values under different conditions is not very large so that a single default Rϕ previously recommended for gradient analyses without the isocratic hold also yields a good approximation to the shortest analysis time for all conditions in the balanced analyses. With or without the initial balance isocratic hold, the recommended default Rϕ is about 5%/t0 (5% increase in the solvent strength per each t0-long increment in time) for small-molecule samples, and about an order of magnitude slower (0.5%/t0) for protein samples. A discussion illustrating the use of the optimization criteria employed here for the techniques other than LSS gradient LC is included.

  8. Cycle 2 Nonlinear Design Optimization Analytical Cross Checks

    NASA Technical Reports Server (NTRS)

    Bencze, Dan

    1999-01-01

    The objectives of the Cycle 2 Nonlinear Design Optimization Anlaytical Cross Checks are to: 1) Understand the variability in the predicted performance levels of the nonlinear designs arising from the use of different inviscid (full potential/Euler) and viscous (Navier-Stokes) analysis methods; and 2) Provide the information required to allow the performance levels of all three designs to be validated using the data from the NCV (nonlinear Cruise Validation) model test.

  9. Optimization of buffer injection for the effective bioremediation of chlorinated solvents in aquifers

    NASA Astrophysics Data System (ADS)

    Brovelli, A.; Robinson, C.; Barry, A.; Kouznetsova, I.; Gerhard, J.

    2008-12-01

    Various techniques have been proposed to enhance biologically-mediated reductive dechlorination of chlorinated solvents in the subsurface, including the addition of fermentable organic substrate for the generation of H2 as an electron donor. One rate-limiting factor for enhanced dechlorination is the pore fluid pH. Organic acids and H+ ions accumulate in dechlorination zones, generating unfavorable conditions for microbial activity (pH < 6.5). The pH variation is a nonlinear function of the amount of reduced chlorinated solvents, and is affected by the organic material fermented, the chemical composition of the pore fluid and the soil's buffering capacity. Consequently, in some cases enhanced remediation schemes rely on buffer injection (e.g., bicarbonate) to alleviate this problem, particularly in the presence of solvent nonaqueous phase liquid (NAPL) source zones. However, the amount of buffer required - particularly in complex, evolving biogeochemical environments - is not well understood. To investigate this question, this work builds upon a geochemical numerical model (Robinson et al., Science of the Total Environment, submitted), which computes the amount of additional buffer required to maintain the pH at a level suitable for bacterial activity for batch systems. The batch model was coupled to a groundwater flow/solute transport/chemical reaction simulator to permit buffer optimization computations within the context of flowing systems exhibiting heterogeneous hydraulic, physical and chemical properties. A suite of simulations was conducted in which buffer optimization was examined within the bounds of the minimum concentration necessary to sustain a pH favorable to microbial activity and the maximum concentration to avoid excessively high pH values (also not suitable to bacterial activity) and mineral precipitation (e.g., calcite, which may lead to pore-clogging). These simulations include an examination of the sensitivity of this buffer concentration range

  10. A technique for integrating engine cycle and aircraft configuration optimization

    NASA Technical Reports Server (NTRS)

    Geiselhart, Karl A.

    1994-01-01

    A method for conceptual aircraft design that incorporates the optimization of major engine design variables for a variety of cycle types was developed. The methodology should improve the lengthy screening process currently involved in selecting an appropriate engine cycle for a given application or mission. The new capability will allow environmental concerns such as airport noise and emissions to be addressed early in the design process. The ability to rapidly perform optimization and parametric variations using both engine cycle and aircraft design variables, and to see the impact on the aircraft, should provide insight and guidance for more detailed studies. A brief description of the aircraft performance and mission analysis program and the engine cycle analysis program that were used is given. A new method of predicting propulsion system weight and dimensions using thermodynamic cycle data, preliminary design, and semi-empirical techniques is introduced. Propulsion system performance and weights data generated by the program are compared with industry data and data generated using well established codes. The ability of the optimization techniques to locate an optimum is demonstrated and some of the problems that had to be solved to accomplish this are illustrated. Results from the application of the program to the analysis of three supersonic transport concepts installed with mixed flow turbofans are presented. The results from the application to a Mach 2.4, 5000 n.mi. transport indicate that the optimum bypass ratio is near 0.45 with less than 1 percent variation in minimum gross weight for bypass ratios ranging from 0.3 to 0.6. In the final application of the program, a low sonic boom fix a takeoff gross weight concept that would fly at Mach 2.0 overwater and at Mach 1.6 overland is compared with a baseline concept of the same takeoff gross weight that would fly Mach 2.4 overwater and subsonically overland. The results indicate that for the design mission

  11. Optimization of nanolime solvent for the consolidation of coarse porous limestone

    NASA Astrophysics Data System (ADS)

    Borsoi, Giovanni; Lubelli, Barbara; van Hees, Rob; Veiga, Rosário; Silva, António Santos

    2016-09-01

    The potentialities of nanomaterials for application in the field of conservation have been widely investigated in the last two decades. Among nanomaterials, nanolimes, i.e., dispersions of lime nanoparticles in alcohols are promising consolidating products for calcareous materials. Nanolimes are effective in recovering the very superficial loss of cohesion of decayed materials, but they do not always provide sufficient mass consolidation. This limitation is mainly related to the deposition of the nanoparticles nearby the surface of the material. Experimental research has been set up with the aim of improving the in-depth deposition of lime nanoparticles. Previous research by the authors has shown that nanolime deposition within a substrate can be controlled by adapting the nanolimes properties (kinetic stability and evaporation rate) to the moisture transport behavior of the substrate. Nanolime properties can be modified by the use of different solvents. In this research, nanolime dispersions have been further optimized for application on Maastricht limestone, a coarse porous limestone. Firstly, nanolimes were synthesized and dispersed in ethanol and/or water, both pure and mixed in different percentages. Subsequently, based on the kinetic stability of the nanolime dispersions, the most promising solvent mixtures were selected and applied on the limestone. The deposition of lime nanoparticles within the limestone was studied by phenolphthalein test, optical microscopy and scanning electron microscopy. The results confirm that nanolime dispersed in a mixture of ethanol (95 %) and water (5 %) can guarantee a better nanoparticles in-depth deposition within coarse porous substrates, when compared to dispersions in pure ethanol.

  12. Extraction optimization of Loratadine by supramolecular solvent-based microextraction and its determination using HPLC.

    PubMed

    Peyrovi, Moazameh; Hadjmohammadi, Mohammadreza

    2015-02-01

    Optimization of supramolecular solvent-based microextraction (SSME) of Loratadine and its determination with high-performance liquid chromatography (HPLC) with ultra violet (UV) detection were investigated. A factorial design (FD) and a central composite face-centered (CCF) were applied to evaluate the SSME procedure. The effect of four parameters on extraction efficiency was investigated. The factors studied were decanoic acid amount, percentage of tetrahydrofuran (THF) (v/v), pH and extraction time. According to half factorial design results, the effective parameters were decanoic acid amount, THF percentage (v/v) and pH. Then, a CCF was applied to obtain optimal condition. The optimized conditions were obtained at 110mg of decanoic acid, 10% of THF and pH=3. The limits of detection were in the range of 0.3-0.4ng/ml. Linearity of the method was determined to be in the range of 1.0-400.0ng/ml for distilled water and 1.3-400.0ng/ml for plasma. The extraction recovery was >92%. RSD for intra and inter day (n=5) of extraction of Loratadine were 3.1% and 6.2%, respectively. The developed method was successfully applied for the determination of Loratadine in distilled water and plasma samples.

  13. Optimization of conjugated linoleic acid triglycerides via enzymatic esterification in no-solvent system

    NASA Astrophysics Data System (ADS)

    Yi, Dan; Sun, Xiuqin; Li, Guangyou; Liu, Fayi; Lin, Xuezheng; Shen, Jihong

    2009-09-01

    We compared four esterifiable enzymes. The lipase Novozym 435 possessed the highest activity for the conjugated linoleic acid esterification during the synthesis of triglycerides. The triglycerides were synthesized by esterification of glycerol and conjugated linoleic acid (CLA) in a no-solvent system using lipase catalysis. We investigated the effects of temperature, enzyme concentration, water content, and time on esterification. Enzyme and water concentrations of up to 1% of the total reaction volume and a system temperature of 60°C proved optimal for esterification. Similarly, when the esterification was carried out for 24 h, the reaction ratio improved to 94.11%. The esterification rate of the rotating screen basket remained high (87.28%) when the enzyme was re-used for the 5th time. We evaluated the substrate selectivity of lipase (NOVO 435) and determined that this lipase prefers the 10,12-octadacadienoic acid to the 9,11-octadecadienoic acid.

  14. A simple method to optimize the HSCCC two-phase solvent system by predicting the partition coefficient for target compound.

    PubMed

    Han, Quan-Bin; Wong, Lina; Yang, Nian-Yun; Song, Jing-Zheng; Qiao, Chun-Feng; Yiu, Hillary; Ito, Yoichiro; Xu, Hong-Xi

    2008-04-01

    A simple method was developed to optimize the solvent ratio of the two-phase solvent system used in the high-speed counter-current chromatography (HSCCC) separation. Some mathematic equations, such as the exponential and the power equations, were established to describe the relationship between the solvent ratio and the partition coefficient. Using this new method, the two-phase solvent system was easily optimized to obtain a proper partition coefficient for the CCC separation of the target compound. Furthermore, this method was satisfactorily applied in determining the two-phase solvent system for the HSCCC preparation of pseudolaric acid B from the Chinese herb Pseudolarix kaempferi Gordon (Pinaceae). The two-phase solvent system of n-hexane/EtOAc/MeOH/H(2)O (5:5:5:5 by volume) was used with a good partition coefficient K = 1.08. As a result, 232.05 mg of pseudolaric acid B was yielded from 0.5 g of the crude extract with a purity of 97.26% by HPLC analysis.

  15. Deep Eutectic Solvents Modified Molecular Imprinted Polymers for Optimized Purification of Chlorogenic Acid from Honeysuckle.

    PubMed

    Li, Guizhen; Wang, Wei; Wang, Qian; Zhu, Tao

    2016-02-01

    Deep eutectic solvents (DES) were synthesized with choline chloride (ChCl), and DES modified molecular imprinted polymers (DES-MIPs), DES modified non-imprinted polymers (DES-NIPs, without template), MIPs and NIPs were prepared in an identical procedure. Fourier transform infrared spectrometer (FT-IR) and field emission scanning electron microscopy (FE-SEM) were used to characterize the obtained polymers. Rebinding experiment and solid-phase extraction (SPE) were used to prove the high selectivity adsorption properties of the polymers. Box-Behnken design (BBD) with three factors was used to optimize the extraction condition of chlorogenic acid (CA) from honeysuckles. The optimum extraction conditions were found to be ultrasonic time optimized (20 min), the volume fraction of ethanol (60%) and ratio of liquid to material (15 mL g(-1)). Under these conditions, the mean extraction yield of CA was 12.57 mg g(-1), which was in good agreement with the predicted BBD model value. Purification of hawthorn extract was achieved by SPE process, and SPE recoveries of CA were 72.56, 64.79, 69.34 and 60.08% by DES-MIPs, DES-NIPs, MIPs and NIPs, respectively. The results showed DES-MIPs had potential for promising functional adsorption material for the purification of bioactive compounds.

  16. Solvent optimization for anthocyanin extraction from Syzygium cumini L. Skeels using response surface methodology.

    PubMed

    Chaudhary, Bratati; Mukhopadhyay, Kunal

    2013-05-01

    Anthocyanins are plant pigments that are potential candidates for use as natural food colourant. In this study, Syzygium cumini fruit skin has been used as anthocyanin source. All the six major types of anthocyanins were identified in the sample by ultra performance liquid chromatography studies, and the antioxidant activity was found to be 4.34 ± 0.26 Fe(2+)g(- 1) in the sample with highest anthocyanin content. Optimization of conditions for extracting high amounts of anthocyanin from the fruit peels was investigated by response surface methodology. The results suggested that highest anthocyanin yield (763.80 mg; 100 ml(- 1)), highest chroma and hue angle in the red colour range could be obtained when 20% ethanol was used in combination with 1% acetic acid. Methanol was replaced with ethanol for the extraction of pigments due to its less toxicity and being safe for human consumption. The optimized solvent can be used to extract anthocyanins from the S. cumini fruits and used as natural colourants in the food industries.

  17. Optimization in solvent selection for chlorin e6 in photodynamic therapy.

    PubMed

    Paul, Shubhajit; Heng, Paul Wan Sia; Chan, Lai Wah

    2013-03-01

    The photophysical properties of chlorin e6 (Ce6) in twelve different protic, aprotic and non-polar solvents were investigated using ultraviolet-visible and fluorescence spectroscopic methods. Solvatochromic effects were determined by the changes in quantum yield, Stokes shift, fluorescence half-life and excited state dipole moments of Ce6 in the different solvents. The absorption shifts observed in different solvents were further analyzed using the Kamlet-Abboud-Taft model and the nature of solute-solvent interactions between Ce6 and different protic and aprotic solvents was elucidated. The quantum yields were found highest in protic solvents (except water), followed by aprotic and non-polar solvents. Solvent polarity parameters showed a linear increasing trend with Stokes shift and fluorescence half-life, which indicated the presence of Ce6-solvent interaction. Using the Kamlet-Abboud-Taft model, a direct correlation between the solvent polarity parameters and absorption shift was observed, which substantiated the existence of Ce6-solvent interaction by hydrogen bond formation. The excited state dipole moments in specific protic and aprotic solvents were found to be higher than the ground state dipole moments, implying a more polar nature of Ce6 during excited state transition.

  18. Optimal life-cycle profiles of fertility and labor supply.

    PubMed

    Moffitt, R

    1984-01-01

    A model of life cycle fertility is developed using the language and framework of optimal control theory. The chief characteristic of children that distinguishes them from other consumer durables is, in the language of the optimal growth theory, the "irreversibility of investment." As the good does not depreciate in the ordinary sense, the stock must be monotonically nondecreasing over time. The optimal profile of fertility is, for this reason, characterized by the same type of "bang-bang" behavior found in many optimal growth problems. Yet, the fertility decision is complicated considerably by several other factors. Chief among these is the intrinsic relation to the labor-supply decision, for having children implies inevitable constraints on the mother's or father's time. Thus, optimal labor-supply decisions also must be considered. The model is developed in stages, proceeding from very simple to the more complex models. 1 section introduces the impact of fertility on the future demands for home time. It is shown that optimal fertility profiles follow turnpike paths similar to those in the growth-theory literature. A subsequent section introduces labor-supply and human-captial considerations. As the models become more complex, solutions become harder to derive and are often only outlined. The analysis provides some theoretical basis for expecting certain shapes of the life-cycle profiles of fertility, labor supply, and wages. Fertility profiles may be of 2 shapes--one beginning at a high rate, falling to a lower rate, then to zero; and one beginning at zero, rising to a moderate rate, then falling back down to zero. Labor supply profiles can be of a number of different shapes, but the impact of childbearing is to lower hours worked during the early childrearing period. As the children mature, hours worked rise (or at least fall more slowly) as home time responsibilities lessen, although the level to which they rise will probably be lower than before the 1st birth

  19. Optimization of pectinase-assisted and tri-solvent-mediated extraction and recovery of lycopene from waste tomato peels.

    PubMed

    Munde, Pravin J; Muley, Abhijeet B; Ladole, Mayur R; Pawar, Amesh V; Talib, Mohammed I; Parate, Vishal R

    2017-07-01

    In the present work, optimization of pectinase-assisted and tri-solvent-mediated extraction of lycopene from waste tomato peels was carried out. The optimized parameters for enzymatic pre-treatment were 2% pectinase concentration, pH 5.5, 4-h incubation, 45 °C and 150 rpm. Maximum recovery of lycopene from tomato peels using optimized tri-solvent extraction was achieved at 45 °C, 120-min incubation and 200 rpm. The extracted lycopene was confirmed through functional and characteristic peaks in UV-Vis and FTIR spectra and with retention time in HPLC. The radical scavenging activity was 72.30 ± 2.70 and 43.40 ± 2.01 µg ascorbic acid equivalents (AAE)/ml for 1,1-diphenyl-2-picrylhydrzyl (DPPH) and 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) (ABTS) radicals, respectively. The optimized method resulted in 7.38, 4.65 and 1.59 times enhancement in lycopene extraction and recovery in correlation with single solvent, enzyme-treated and tri-solvent extraction methods, respectively.

  20. Optimization of the solvent-based dissolution method to sample volatile organic compound vapors for compound-specific isotope analysis.

    PubMed

    Bouchard, Daniel; Wanner, Philipp; Luo, Hong; McLoughlin, Patrick W; Henderson, James K; Pirkle, Robert J; Hunkeler, Daniel

    2017-10-20

    The methodology of the solvent-based dissolution method used to sample gas phase volatile organic compounds (VOC) for compound-specific isotope analysis (CSIA) was optimized to lower the method detection limits for TCE and benzene. The sampling methodology previously evaluated by [1] consists in pulling the air through a solvent to dissolve and accumulate the gaseous VOC. After the sampling process, the solvent can then be treated similarly as groundwater samples to perform routine CSIA by diluting an aliquot of the solvent into water to reach the required concentration of the targeted contaminant. Among solvents tested, tetraethylene glycol dimethyl ether (TGDE) showed the best aptitude for the method. TGDE has a great affinity with TCE and benzene, hence efficiently dissolving the compounds during their transition through the solvent. The method detection limit for TCE (5±1μg/m(3)) and benzene (1.7±0.5μg/m(3)) is lower when using TGDE compared to methanol, which was previously used (385μg/m(3) for TCE and 130μg/m(3) for benzene) [2]. The method detection limit refers to the minimal gas phase concentration in ambient air required to load sufficient VOC mass into TGDE to perform δ(13)C analysis. Due to a different analytical procedure, the method detection limit associated with δ(37)Cl analysis was found to be 156±6μg/m(3) for TCE. Furthermore, the experimental results validated the relationship between the gas phase TCE and the progressive accumulation of dissolved TCE in the solvent during the sampling process. Accordingly, based on the air-solvent partitioning coefficient, the sampling methodology (e.g. sampling rate, sampling duration, amount of solvent) and the final TCE concentration in the solvent, the concentration of TCE in the gas phase prevailing during the sampling event can be determined. Moreover, the possibility to analyse for TCE concentration in the solvent after sampling (or other targeted VOCs) allows the field deployment of the

  1. Optimization of long-range order in solvent-annealed polystyrene- b-polylactide block polymer thin films for nanolithography

    NASA Astrophysics Data System (ADS)

    Baruth, A.; Seo, M.; Lin, C.-H.; Walster, K.; Shankar, A.; Hillmyer, M. A.; Leighton, C.

    2014-03-01

    We demonstrate long-range order in solvent-annealed polystyrene- b-polylactide block polymer thin films for nanolithographic applications. This is accomplished via climate-controlled solvent vapor annealing, in situ solvent concentration measurements, and small angle x-ray scattering. By connecting the properties of swollen and dried films, we identify ``best practices'' for solvent-annealing, including that exposing block polymer films to a neutral solvent concentration just below the identified (viax-ray scattering) order-disorder transition, at low pressures, with fast solvent evaporation rates, will consistently yield large lateral correlation lengths (>6.9 μm) of hexagonally-packed cylinders that span the entire thickness of the film with center-to-center spacing ranging from 43 - 59 nm. The resultant films have sufficient fidelity for pattern transfer to an inorganic material, as evidenced by patterning of Ni metal nanodots using a damascene-type approach. We argue that our results can be qualitatively understood by analogy to thermal annealing of a single-component solid, where annealing just below the melting point leads to optimal recrystallization. Such reliability, combined with recently developed pattern-transfer techniques, places this cheap and rapid method of nanolithography in competition with conventional lithography schemes. Funded by NSF MRSEC and Creighton University Summer Research Award.

  2. Optimization of solution-processed oligothiophene:fullerene based organic solar cells by using solvent additives.

    PubMed

    Schulz, Gisela L; Urdanpilleta, Marta; Fitzner, Roland; Brier, Eduard; Mena-Osteritz, Elena; Reinold, Egon; Bäuerle, Peter

    2013-01-01

    The optimization of solution-processed organic bulk-heterojunction solar cells with the acceptor-substituted quinquethiophene DCV5T-Bu 4 as donor in conjunction with PC61BM as acceptor is described. Power conversion efficiencies up to 3.0% and external quantum efficiencies up to 40% were obtained through the use of 1-chloronaphthalene as solvent additive in the fabrication of the photovoltaic devices. Furthermore, atomic force microscopy investigations of the photoactive layer gave insight into the distribution of donor and acceptor within the blend. The unique combination of solubility and thermal stability of DCV5T-Bu 4 also allows for fabrication of organic solar cells by vacuum deposition. Thus, we were able to perform a rare comparison of the device characteristics of the solution-processed DCV5T-Bu 4 :PC61BM solar cell with its vacuum-processed DCV5T-Bu 4 :C60 counterpart. Interestingly in this case, the efficiencies of the small-molecule organic solar cells prepared by using solution techniques are approaching those fabricated by using vacuum technology. This result is significant as vacuum-processed devices typically display much better performances in photovoltaic cells.

  3. Optimal digital control of a Stirling cycle cooler

    NASA Technical Reports Server (NTRS)

    Feeley, J.; Feeley, P.; Langford, G.

    1990-01-01

    This short paper describes work in progress on the conceptual design of a control system for a cryogenic cooler intended for use aboard spacecraft. The cooler will produce 5 watts of cooling at 65 K and will be used to support experiments associated with the following: earth observation; atmospheric measurements; infrared, x-ray, and gamma-ray astronomy; and magnetic field characterization. The cooler has been designed and constructed for NASA/GSFC by Philips Laboratories and is described in detail. The cooler has a number of unique design features intended to enhance long life and maintenance free operation in space including use of the high efficiency Stirling thermodynamic refrigeration cycle, linear magnetic motors, clearance-seals, and magnetic bearings. The proposed control system design is based on optimal control theory and is targeted for custom integrated circuit implementation. The resulting control system will meet the following mission requirements: efficiency, reliability, optimal thermodynamic, electrical, and mechanical performance; freedom from operator intervention; light weight; and small size.

  4. Increasing the sampling efficiency of protein conformational transition using velocity-scaling optimized hybrid explicit/implicit solvent REMD simulation

    SciTech Connect

    Yu, Yuqi; Wang, Jinan; Shao, Qiang E-mail: Jiye.Shi@ucb.com Zhu, Weiliang E-mail: Jiye.Shi@ucb.com; Shi, Jiye E-mail: Jiye.Shi@ucb.com

    2015-03-28

    The application of temperature replica exchange molecular dynamics (REMD) simulation on protein motion is limited by its huge requirement of computational resource, particularly when explicit solvent model is implemented. In the previous study, we developed a velocity-scaling optimized hybrid explicit/implicit solvent REMD method with the hope to reduce the temperature (replica) number on the premise of maintaining high sampling efficiency. In this study, we utilized this method to characterize and energetically identify the conformational transition pathway of a protein model, the N-terminal domain of calmodulin. In comparison to the standard explicit solvent REMD simulation, the hybrid REMD is much less computationally expensive but, meanwhile, gives accurate evaluation of the structural and thermodynamic properties of the conformational transition which are in well agreement with the standard REMD simulation. Therefore, the hybrid REMD could highly increase the computational efficiency and thus expand the application of REMD simulation to larger-size protein systems.

  5. Increasing the sampling efficiency of protein conformational transition using velocity-scaling optimized hybrid explicit/implicit solvent REMD simulation.

    PubMed

    Yu, Yuqi; Wang, Jinan; Shao, Qiang; Shi, Jiye; Zhu, Weiliang

    2015-03-28

    The application of temperature replica exchange molecular dynamics (REMD) simulation on protein motion is limited by its huge requirement of computational resource, particularly when explicit solvent model is implemented. In the previous study, we developed a velocity-scaling optimized hybrid explicit/implicit solvent REMD method with the hope to reduce the temperature (replica) number on the premise of maintaining high sampling efficiency. In this study, we utilized this method to characterize and energetically identify the conformational transition pathway of a protein model, the N-terminal domain of calmodulin. In comparison to the standard explicit solvent REMD simulation, the hybrid REMD is much less computationally expensive but, meanwhile, gives accurate evaluation of the structural and thermodynamic properties of the conformational transition which are in well agreement with the standard REMD simulation. Therefore, the hybrid REMD could highly increase the computational efficiency and thus expand the application of REMD simulation to larger-size protein systems.

  6. Toxicological risk at workplace and toxicity as Life Cycle Assessment impact category: Substitution of solvents as an example.

    PubMed

    Schupp, Thomas; Georg, Philipp Alexander; Kirstein, Guenter

    2017-01-01

    Substitution of hazardous substances against less hazardous ones is a central requirement of the European Chemical Regulation REACH (European Regulation 1907/2006/EC). Hazardous substances emitted from products may not only affect the worker; drift off and distribution in the environment may finally result in exposure of the general population. This potential threat to health is covered by the impact category "toxicity" in Life Cycle Assessments. In this paper, we present a case of a substitution of volatile organic compounds in a reactive varnish, and compare the "old" formulation with the "new" formulation against health risk to the worker, and concerning the Life Cycle Assessment impact category "toxicity". The "old" formulation contained Naphtha (petroleum), hydrodesulfurized, heavy and Solvent naphtha (petroleum), light, aromatic. In the new formulation, both naphthas were replaced by n-Butylacetate, 1-Ethoxy-2-propyl acetate and Ethyl-3-ethoxy propionate. In the European Union, the naphthas are classified as mutagens and carcinogens category 1, officially. However, if benzene is below 0.1 %, registrants in the EU proposed to omit this classification, and todays naptha products on the market obviously have benzene contents below 0.1 %. On a first glance, the improvement for workplace safety introduced by the substitution, therefore, is comparatively small, as it is for toxicity in Life Cycle Assessment. However, when background knowledge concerning chemical production processes of naphtha is included, benzene below a content of 0.1 % needs to be taken into consideration, and the benefit of substitution is more obvious.

  7. ORGANIC-HIGH IONIC STRENGTH AQUEOUS SOLVENT SYSTEMS FOR SPIRAL COUNTER-CURRENT CHROMATOGRAPHY: GRAPHIC OPTIMIZATION OF PARTITION COEFFICIENT.

    PubMed

    Zeng, Yun; Liu, Gang; Ma, Ying; Chen, Xiaoyuan; Ito, Yoichiro

    2013-01-10

    A new series of organic-high ionic strength aqueous two-phase solvents systems was designed for separation of highly polar compounds by spiral high-speed counter-current chromatography. A total of 21 solvent systems composed of 1-butanol-ethanol-saturated ammonium sulfate-water at various volume ratios are arranged according to an increasing order of polarity. Selection of the two-phase solvent system for a single compound or a multiple sample mixture can be achieved by two steps of partition coefficient measurements using a graphic method. The capability of the method is demonstrated by optimization of partition coefficient for seven highly polar samples including tartrazine (K=0.77), tryptophan (K=1.00), methyl green (K= 0.93), tyrosine (0.81), metanephrine (K=0.89), tyramine (K=0.98), and normetanephrine (K=0.96). Three sulfonic acid components in D&C Green No. 8 were successfully separated by HSCCC using the graphic selection of the two-phase solvent system.

  8. ORGANIC-HIGH IONIC STRENGTH AQUEOUS SOLVENT SYSTEMS FOR SPIRAL COUNTER-CURRENT CHROMATOGRAPHY: GRAPHIC OPTIMIZATION OF PARTITION COEFFICIENT

    PubMed Central

    Zeng, Yun; Liu, Gang; Ma, Ying; Chen, Xiaoyuan; Ito, Yoichiro

    2012-01-01

    A new series of organic-high ionic strength aqueous two-phase solvents systems was designed for separation of highly polar compounds by spiral high-speed counter-current chromatography. A total of 21 solvent systems composed of 1-butanol-ethanol-saturated ammonium sulfate-water at various volume ratios are arranged according to an increasing order of polarity. Selection of the two-phase solvent system for a single compound or a multiple sample mixture can be achieved by two steps of partition coefficient measurements using a graphic method. The capability of the method is demonstrated by optimization of partition coefficient for seven highly polar samples including tartrazine (K=0.77), tryptophan (K=1.00), methyl green (K= 0.93), tyrosine (0.81), metanephrine (K=0.89), tyramine (K=0.98), and normetanephrine (K=0.96). Three sulfonic acid components in D&C Green No. 8 were successfully separated by HSCCC using the graphic selection of the two-phase solvent system. PMID:23467197

  9. Toxicological risk at workplace and toxicity as Life Cycle Assessment impact category: Substitution of solvents as an example

    PubMed Central

    Schupp, Thomas; Georg, Philipp Alexander; Kirstein, Guenter

    2017-01-01

    Substitution of hazardous substances against less hazardous ones is a central requirement of the European Chemical Regulation REACH (European Regulation 1907/2006/EC). Hazardous substances emitted from products may not only affect the worker; drift off and distribution in the environment may finally result in exposure of the general population. This potential threat to health is covered by the impact category “toxicity” in Life Cycle Assessments. In this paper, we present a case of a substitution of volatile organic compounds in a reactive varnish, and compare the “old” formulation with the “new” formulation against health risk to the worker, and concerning the Life Cycle Assessment impact category “toxicity”. The “old” formulation contained Naphtha (petroleum), hydrodesulfurized, heavy and Solvent naphtha (petroleum), light, aromatic. In the new formulation, both naphthas were replaced by n-Butylacetate, 1-Ethoxy-2-propyl acetate and Ethyl-3-ethoxy propionate. In the European Union, the naphthas are classified as mutagens and carcinogens category 1, officially. However, if benzene is below 0.1 %, registrants in the EU proposed to omit this classification, and todays naptha products on the market obviously have benzene contents below 0.1 %. On a first glance, the improvement for workplace safety introduced by the substitution, therefore, is comparatively small, as it is for toxicity in Life Cycle Assessment. However, when background knowledge concerning chemical production processes of naphtha is included, benzene below a content of 0.1 % needs to be taken into consideration, and the benefit of substitution is more obvious. PMID:28337118

  10. Optimization of acetonitrile co-solvent and copper stoichiometry for pseudo-ligandless click chemistry with nucleic acids.

    PubMed

    Paredes, Eduardo; Das, Subha R

    2012-08-15

    The copper(I) catalyzed azide-alkyne cycloaddition 'click' reaction yields a specific product under mild conditions and in some of the most chemically complex environments. This reaction has been used extensively to tag DNA, proteins, glycans and only recently RNA. Click reactions in aqueous buffer typically include a ligand for Cu(I), however we find that acetonitrile as a minor co-solvent can serve this role. Here we investigate the click labeling of RNA and DNA in aqueous buffer to determine the relationship between the stoichoimetry of Cu(I) and the acetonitrile co-solvent that affects nucleic acid stability. We find that very low concentrations of acetonitrile perform equally well and obviate the need for any additional Cu(I) stabilizing ligand. These pseudo-ligandless reaction conditions are optimal for nucleic acids click conjugations.

  11. Optimization of process parameters for supercritical fluid extraction of cholesterol from whole milk powder using ethanol as co-solvent.

    PubMed

    Dey Paul, Indira; Jayakumar, Chitra; Niwas Mishra, Hari

    2016-12-01

    In spite of being highly nutritious, the consumption of milk is hindered because of its high cholesterol content, which is responsible for numerous cardiac diseases. Supercritical carbon dioxide using ethanol as co-solvent was employed to extract cholesterol from whole milk powder (WMP). This study was undertaken to optimize the process parameters of supercritical fluid extraction (SCFE), viz. extraction temperature, pressure and volume of ethanol. The cholesterol content of WMP was quantified using high-performance liquid chromatography. The impact of the extraction conditions on the fat content (FC), solubility index (SI) and lightness (L*) of the SCFE-treated WMP were also investigated. The process parameters were optimized using response surface methodology. About 46% reduction in cholesterol was achieved at the optimized conditions of 48 °C, 17 MPa and 31 mL co-solvent; flow rate of expanded CO2 , static time and dynamic time of extraction were 6 L min(-1) , 10 min and 80 min respectively. The treated WMP retained its FC, SI, and L* at moderate limits of 183.67 g kg(-1) , 96.3% and 96.90, respectively. This study demonstrated the feasibility of ethanol-modified SCFE of cholesterol from WMP with negligible changes in its physicochemical properties. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  12. Optimal Cooling Load and COP Relationship of a Four-Heat-Reservoir Endoreversible Absorption Refrigeration Cycle

    NASA Astrophysics Data System (ADS)

    Chen, Lingen; Zheng, Tong; Sun, Fengrui; Wu, Chih

    2004-06-01

    On the basis of a four-heat-reservoir endoreversible absorption refrigeration cycle model, another linear heat transfer law [i.e., the heat-flux] is adopted, the fundamental optimal relation between the coefficient of performance (COP) and the cooling load, as well as the maximum cooling load and the corresponding COP of the cycle coupled to constant-temperature heat reservoirs are derived by using finite-time thermodynamics or thermodynamic optimization. The optimal distribution of the heat-transfer surface areas is also obtained. Moreover, the effects of the cycle parameters on the COP and the cooling load of the cycle are studied by detailed numerical examples. The results obtained herein are of importance to the optimal design and performance improvement of an absorption refrigeration cycle.

  13. Evaluation of alcohol-based deep eutectic solvent in extraction and determination of flavonoids with response surface methodology optimization.

    PubMed

    Bi, Wentao; Tian, Minglei; Row, Kyung Ho

    2013-04-12

    Deep eutectic solvents (DESs) are emerging rapidly as a new type of green solvent instead of an ionic liquid (IL), and are typically formed by mixing choline chloride with hydrogen bond donors. Few studies have applied DESs to the extraction and determination of bioactive compounds. Therefore, in the present study, DESs were used to extract flavonoids (myricetin and amentoflavone), which are well known and widely used antioxidants, to extend their applications. A range of alcohol-based DESs with different alcohols to choline chloride (ChCl) mixing ratios were used for extraction using several extraction methods. Other factors, such as temperature, time, water addition and solid/liquid ratio, were examined systematically using a response surface methodology (RSM). A total of 0.031 and 0.518 mg g(-1) of myricetin and amentoflavone were extracted under the optimized conditions: 35 vol% of water in ChCl/1,4-butanediol (1/5) at 70.0 °C for 40.0 min and a solid/liquid ratio of 1/1 (g 10 mL(-1)). Good linearity was obtained from 0.1 × 10(-3) to 0.1 mg mL(-1) (r(2)>0.999). The excellent properties of DESs highlight their potential as promising green solvents for the extraction and determination of a range of bioactive compounds or drugs. Copyright © 2013 Elsevier B.V. All rights reserved.

  14. Revenue cycle optimization in health care institutions. A conceptual framework for change management.

    PubMed

    Mugdh, Mrinal; Pilla, Satya

    2012-01-01

    Health care providers in the United States are constantly faced with the enormous challenge of optimizing their revenue cycle to improve their overall financial performance. These challenges keep evolving in both scope and complexity owing to a host of internal and external factors. Furthermore, given the lack of control that health care providers have over external factors, any attempt to successfully optimize the revenue cycle hinges on several critical improvements aimed at realigning the internal factors. This study provides an integrated change management model that aims to reengineer and realign the people-process-technology framework by using the principles of lean and Six Sigma for revenue cycle optimization.

  15. Identification and optimization of a novel thermo- and solvent stable ketol-acid reductoisomerase for cell free isobutanol biosynthesis.

    PubMed

    Reiße, Steven; Garbe, Daniel; Brück, Thomas

    2015-01-01

    Due to its enhanced energy content and hydrophobicity, isobutanol is flagged as a next generation biofuel and chemical building block. For cellular and cell-free isobutanol production, NADH dependent (over NADPH dependent) enzyme systems are desired. To improve cell-free isobutanol processes, we characterized and catalytically optimized a NADH dependent, thermo- and solvent stable ketol-acid reductoisomerase (KARI) derived from the bacterium Meiothermus ruber (Mr). The wild type Mr-KARI has the most temperature tolerant KARI specific activity reported to date. The KARI screening procedure developed in this study allows accelerated molecular optimization. Thus, a KARI variant with a 350% improved activity and enhanced NADH cofactor specificity was identified. Other KARI variants gave insights into Mr-KARI structure-function relationships. Copyright © 2014 Elsevier B.V. and Société française de biochimie et biologie Moléculaire (SFBBM). All rights reserved.

  16. Optimization of ultrasonic-stimulated solvent extraction of sinigrin from Indian mustard seed (Brassica Juncea L.) using response surface methodology.

    PubMed

    Wang, Tianxin; Liang, Hao; Yuan, Qipeng

    2011-01-01

    Sinigrin, a major glucosinolate present in Indian mustard (Brassica juncea L.) seeds as the precursor of the anticancer compound allyl isothiocyanate, shows a wide range of biological activities. It's necessary to optimize the extraction methods and conditions, in order to improve the extraction productivity and save raw material. To systemically investigate and optimize the most important factors affected the productivity of sinigrin in the process of extraction using response surface methodology. The ranges of three main factors including the ethanol concentration, extraction time and extraction temperature were selected by the one-factor-at-a-time method. The conditions of ultrasonic-stimulated extraction of sinigrin from defatted Indian mustard seed powder were optimized by Box-Behnken design to obtain the maximum productivity. The predicted productivity (3.81%) was obtained using 57% ethanol concentration at 81 °C for 60 min, with the coefficient of the model R² > 0.96 (n = 17). The actual productivity (3.84 ± 0.02%) of sinigrin under the optimized condition was increased by 70.67% compared with the result of conventional extraction. Meanwhile, HPLC, UV and IR were applied to examine if there is a difference between the ultrasonic-stimulated solvent extraction and conventional extraction, and the improvement of productivity of sinigrin depended on the destruction of cell wall caused by the elimination of outer pectinous material was explained by SEM and composition content analysis. The ultrasonic-stimulated solvent extraction was suggested to be a promising method to improve the productivity of sinigrin. And the results demonstrated that sinigrin productivity may be related to pectinous materials existed in the seeds. Copyright © 2010 John Wiley & Sons, Ltd.

  17. Realistic Challenges to Optimize the Closed Nuclear Fuel Cycle

    SciTech Connect

    Shigeo Nomura; Hisao Ojima; Hirohisa Ishikawa

    2002-07-01

    The first generation nuclear fuel cycle system will be closed in Japan by 2010 with the successful combination of LWR-MOX, industrial operation of reprocessing and MOX fuel fabrication plants, interim storage of spent fuel, and plans for the location of final disposal of radioactive wastes. To tailor nuclear power as the globally sustainable and environmentally benign energy source for future society, however, an advanced fuel cycle option is needed that is well suited to the fast reactor. It should recycle fissile materials of plutonium and uranium whilst transmuting minor actinides and generating minimum waste. (authors)

  18. Decision & Management Tools for DNAPL Sites: Optimization of Chlorinated Solvent Source and Plume Remediation Considering Uncertainty

    DTIC Science & Technology

    2011-08-01

    Rao et al., 2001; Rao and Jawitz, 2003; Parker and Park, 2004; Zhu and Sykes , 2004; Falta et al., 2005aFalta, 2008; Parker and Falta, 2008): Γ...Fuels and Chlorinated Solvents in the Subsurface. New York: John Wiley and Sons, Inc. Zhu, J., and J.F. Sykes . 2004. Simple screening models of NAPL...340C Clemson, SC 29634-0919 Phone: 864-656-0125 Fax: 864-656-1041 E-mail: faltar@clemson.edu Project Team Lead Charles , J. Newell GSI

  19. Optimal flash rate and duty cycle for flashing visual indicators.

    NASA Technical Reports Server (NTRS)

    Markowitz, J.

    1971-01-01

    This experiment examined the ability of observers to determine, as quickly as possible, whether a visual indicator was steadily on or flashing. Six flash rates (periods) were combined factorially with three duty cycles (on-off ratios) to define 18 ?types' of intermittent signals. Experimental sessions were divided into six runs of 100 trials, each run utilizing one of the six flash rates. On any given trial in a run, the probability of a steady signal occurring was 0.5 and the probability of a flashing signal occurring was 0.5. A different duty cycle was employed daily for each experimental session. In all, 400 trials were devoted to each of the flash rates at each duty cycle. Accuracy and latency of response were the dependent variables of interest. The results show that the observers view the light for an interval of time appropriate to the expected flash rate and duty cycle; whether they judge the light to be steady or intermittent depends upon whether the light is extinguished during the predetermined waiting period. Adoption of this temporal criterion delays responding in comparison to those tasks involving responses to light onset. The decision or response criteria held by the observers are also sensitive to the parameters of the flashing light: observers become increasingly willing to call a flashing light ?steady' as flash duration increases.

  20. Optimal flash rate and duty cycle for flashing visual indicators.

    NASA Technical Reports Server (NTRS)

    Markowitz, J.

    1971-01-01

    This experiment examined the ability of observers to determine, as quickly as possible, whether a visual indicator was steadily on or flashing. Six flash rates (periods) were combined factorially with three duty cycles (on-off ratios) to define 18 ?types' of intermittent signals. Experimental sessions were divided into six runs of 100 trials, each run utilizing one of the six flash rates. On any given trial in a run, the probability of a steady signal occurring was 0.5 and the probability of a flashing signal occurring was 0.5. A different duty cycle was employed daily for each experimental session. In all, 400 trials were devoted to each of the flash rates at each duty cycle. Accuracy and latency of response were the dependent variables of interest. The results show that the observers view the light for an interval of time appropriate to the expected flash rate and duty cycle; whether they judge the light to be steady or intermittent depends upon whether the light is extinguished during the predetermined waiting period. Adoption of this temporal criterion delays responding in comparison to those tasks involving responses to light onset. The decision or response criteria held by the observers are also sensitive to the parameters of the flashing light: observers become increasingly willing to call a flashing light ?steady' as flash duration increases.

  1. Method of optimizing performance of Rankine cycle power plants

    DOEpatents

    Pope, William L.; Pines, Howard S.; Doyle, Padraic A.; Silvester, Lenard F.

    1982-01-01

    A method for efficiently operating a Rankine cycle power plant (10) to maximize fuel utilization efficiency or energy conversion efficiency or minimize costs by selecting a turbine (22) fluid inlet state which is substantially in the area adjacent and including the transposed critical temperature line (46).

  2. Thermodynamic efficiency analysis and cycle optimization of deeply precooled combined cycle engine in the air-breathing mode

    NASA Astrophysics Data System (ADS)

    Zhang, Jianqiang; Wang, Zhenguo; Li, Qinglian

    2017-09-01

    The efficiency calculation and cycle optimization were carried out for the Synergistic Air-Breathing Rocket Engine (SABRE) with deeply precooled combined cycle. A component-level model was developed for the engine, and exergy efficiency analysis based on the model was carried out. The methods to improve cycle efficiency have been proposed. The results indicate cycle efficiency of SABRE is between 29.7% and 41.7% along the flight trajectory, and most of the wasted exergy is occupied by the unburned hydrogen in exit gas. Exergy loss exists in each engine component, and the sum losses of main combustion chamber(CC), pre-burner(PB), precooler(PC) and 3# heat exchanger(HX3) are greater than 71.3% of the total loss. Equivalence ratio is the main influencing factor of cycle, and it can be regulated by adjusting parameters of helium loop. Increase the maximum helium outlet temperature of PC by 50 K, the total assumption of hydrogen will be saved by 4.8%, and the cycle efficiency is advanced by 3% averagely in the trajectory. Helium recirculation scheme introduces a helium recirculation loop to increase local helium flow rate of PC. It turns out the total assumption of hydrogen will be saved by 9%, that's about 1740 kg, and the cycle efficiency is advanced by 5.6% averagely.

  3. Optimal analysis on the performance of an irreversible harmonic quantum Brayton refrigeration cycle.

    PubMed

    Lin, Bihong; Chen, Jincan

    2003-11-01

    An irreversible model of a quantum refrigeration cycle working with many noninteracting harmonic oscillators is established. The refrigeration cycle consists of two adiabatic and two constant-frequency processes. The general performance characteristics of the cycle are investigated, based on the quantum master equation and the semigroup approach. The expressions for several important performance parameters such as the coefficient of performance, cooling rate, power input, and rate of entropy production are derived. By using numerical solutions, the cooling rate of the refrigeration cycle subject to finite cycle duration is optimized. The maximum cooling rate and the corresponding parameters are calculated numerically. The optimal region of the coefficient of performance and the optimal ranges of temperatures of the working substance and times spent on the two constant-frequency processes are determined. Moreover, the optimal performance of the cycle in the high-temperature limit is compared with that of a classical Brayton refrigerator working with an ideal gas. The results obtained here show that in the high-temperature limit a harmonic quantum Brayton cycle may be equivalent to a classical Brayton cycle.

  4. Process optimization for production and purification of a thermostable, organic solvent tolerant lipase from Acinetobacter sp. AU07.

    PubMed

    Gururaj, P; Ramalingam, Subramanian; Nandhini Devi, Ganesan; Gautam, Pennathur

    2016-01-01

    The purpose of this study was to isolate, purify and optimize the production conditions of an organic solvent tolerant and thermostable lipase from Acinetobacter sp. AU07 isolated from distillery waste. The lipase production was optimized by response surface methodology, and a maximum production of 14.5U/mL was observed at 30°C and pH 7, using a 0.5% (v/v) inoculum, 2% (v/v) castor oil (inducer), and agitation 150rpm. The optimized conditions from the shake flask experiments were validated in a 3L lab scale bioreactor, and the lipase production increased to 48U/mL. The enzyme was purified by ammonium sulfate precipitation and ion exchange chromatography and the overall yield was 36%. SDS-PAGE indicated a molecular weight of 45kDa for the purified protein, and Matrix assisted laser desorption/ionization time of flight analysis of the purified lipase showed sequence similarity with GDSL family of lipases. The optimum temperature and pH for activity of the enzyme was found to be 50°C and 8.0, respectively. The lipase was completely inhibited by phenylmethylsulfonyl fluoride but minimal inhibition was observed when incubated with ethylenediaminetetraacetic acid and dithiothreitol. The enzyme was stable in the presence of non-polar hydrophobic solvents. Detergents like SDS inhibited enzyme activity; however, there was minimal loss of enzyme activity when incubated with hydrogen peroxide, Tween 80 and Triton X-100. The kinetic constants (Km and Vmax) revealed that the hydrolytic activity of the lipase was specific to moderate chain fatty acid esters. The Vmax, Km and Vmax/Km ratio of the enzyme were 16.98U/mg, 0.51mM, and 33.29, respectively when 4-nitrophenyl palmitate was used as a substrate. Copyright © 2016 Sociedade Brasileira de Microbiologia. Published by Elsevier Editora Ltda. All rights reserved.

  5. Optimization of organic Rankine cycles for space station applications

    NASA Astrophysics Data System (ADS)

    Eubanks, Dana L.; Best, Frederick R.; Faget, Nanette

    The purpose of the current program is to investigate the tradeoffs between solar dynamic and nuclear powered systems for the space station. This research is based on a typical Rankine cycle using toluene as the working fluid. The first objective is to produce an adequate thermodynamic cycle model and calculate its efficiency. The next step is to implement a sizing algorithm that calculates the capacity of the various elements of the system, such as the radiator and regenerator, for a given electrical output. Then, the mass of each component must be calculated to give the overall total system mass. Likewise, the space for each component can be determined, giving an estimate of what volume must be available to place the system into orbit.

  6. Optimization of organic Rankine cycles for space station applications

    NASA Technical Reports Server (NTRS)

    Eubanks, Dana L.; Best, Frederick R.; Faget, Nanette

    1988-01-01

    The purpose of the current program is to investigate the tradeoffs between solar dynamic and nuclear powered systems for the space station. This research is based on a typical Rankine cycle using toluene as the working fluid. The first objective is to produce an adequate thermodynamic cycle model and calculate its efficiency. The next step is to implement a sizing algorithm that calculates the capacity of the various elements of the system, such as the radiator and regenerator, for a given electrical output. Then, the mass of each component must be calculated to give the overall total system mass. Likewise, the space for each component can be determined, giving an estimate of what volume must be available to place the system into orbit.

  7. Optimization of organic Rankine cycles for space station applications

    NASA Technical Reports Server (NTRS)

    Eubanks, Dana L.; Best, Frederick R.; Faget, Nanette

    1988-01-01

    The purpose of the current program is to investigate the tradeoffs between solar dynamic and nuclear powered systems for the space station. This research is based on a typical Rankine cycle using toluene as the working fluid. The first objective is to produce an adequate thermodynamic cycle model and calculate its efficiency. The next step is to implement a sizing algorithm that calculates the capacity of the various elements of the system, such as the radiator and regenerator, for a given electrical output. Then, the mass of each component must be calculated to give the overall total system mass. Likewise, the space for each component can be determined, giving an estimate of what volume must be available to place the system into orbit.

  8. Orbit Transfer Vehicle Engine Study. Phase A, extension 1: Advanced expander cycle engine optimization

    NASA Technical Reports Server (NTRS)

    Mellish, J. A.

    1979-01-01

    The performance optimization of expander cycle engines at vacuum thrust levels of 10K, 15K, and 20K lb is discussed. The optimization is conducted for a maximum engine length with an extendible nozzle in the retracted position of 60 inches and an engine mixture ratio of 6.0:1. The thrust chamber geometry and cycle analyses are documented. In addition, the sensitivity of a recommended baseline expander cycle to component performance variations is determined and chilldown/start propellant consumptions are estimated.

  9. Optimal cycling time trial position models: aerodynamics versus power output and metabolic energy.

    PubMed

    Fintelman, D M; Sterling, M; Hemida, H; Li, F-X

    2014-06-03

    The aerodynamic drag of a cyclist in time trial (TT) position is strongly influenced by the torso angle. While decreasing the torso angle reduces the drag, it limits the physiological functioning of the cyclist. Therefore the aims of this study were to predict the optimal TT cycling position as function of the cycling speed and to determine at which speed the aerodynamic power losses start to dominate. Two models were developed to determine the optimal torso angle: a 'Metabolic Energy Model' and a 'Power Output Model'. The Metabolic Energy Model minimised the required cycling energy expenditure, while the Power Output Model maximised the cyclists׳ power output. The input parameters were experimentally collected from 19 TT cyclists at different torso angle positions (0-24°). The results showed that for both models, the optimal torso angle depends strongly on the cycling speed, with decreasing torso angles at increasing speeds. The aerodynamic losses outweigh the power losses at cycling speeds above 46km/h. However, a fully horizontal torso is not optimal. For speeds below 30km/h, it is beneficial to ride in a more upright TT position. The two model outputs were not completely similar, due to the different model approaches. The Metabolic Energy Model could be applied for endurance events, while the Power Output Model is more suitable in sprinting or in variable conditions (wind, undulating course, etc.). It is suggested that despite some limitations, the models give valuable information about improving the cycling performance by optimising the TT cycling position.

  10. Oyster Creek cycle 10 nodal model parameter optimization study using PSMS

    SciTech Connect

    Dougher, J.D.

    1987-01-01

    The power shape monitoring system (PSMS) is an on-line core monitoring system that uses a three-dimensional nodal code (NODE-B) to perform nodal power calculations and compute thermal margins. The PSMS contains a parameter optimization function that improves the ability of NODE-B to accurately monitor core power distributions. This functions iterates on the model normalization parameters (albedos and mixing factors) to obtain the best agreement between predicted and measured traversing in-core probe (TIP) reading on a statepoint-by-statepoint basis. Following several statepoint optimization runs, an average set of optimized normalization parameters can be determined and can be implemented into the current or subsequent cycle core model for on-line core monitoring. A statistical analysis of 19 high-power steady-state state-points throughout Oyster Creek cycle 10 operation has shown a consistently poor virgin model performance. The normalization parameters used in the cycle 10 NODE-B model were based on a cycle 8 study, which evaluated only Exxon fuel types. The introduction of General Electric (GE) fuel into cycle 10 (172 assemblies) was a significant fuel/core design change that could have altered the optimum set of normalization parameters. Based on the need to evaluate a potential change in the model normalization parameters for cycle 11 and in an attempt to account for the poor cycle 10 model performance, a parameter optimization study was performed.

  11. Optimizing the damage detection cycle of the spare parts based on the failure data

    NASA Astrophysics Data System (ADS)

    Qi, Jianjun; Wang, Dongfeng; Wang, Liqin; Xue, Yong

    2017-08-01

    In order to prepare for the launch mission, some spare parts for consumption are stored in the spaceport. The spare parts are regularly detected so that all of them can be kept in good condition, but detection may cause some damage. In this paper, the optimization of detection cycle to the spare parts is studied. Firstly, the life model of spare parts is created, which is on the condition of damage detection, in order to estimate the failure rate during the period of storage and the failure probability of the spare parts for each detection. Secondly, the model of optimizing the detection cycle is established so that the detection cycle can be optimized. At last, a numerical example is given and a simulated experiment is designed at the same time. The results show that the method proposed in this paper can be used to calculate the best detection cycle to the spare parts and the availability of the spare parts.

  12. Optimization of HS-GC-FID-MS Method for Residual Solvent Profiling in Active Pharmaceutical Ingredients Using DoE.

    PubMed

    Poceva Panovska, Ana; Acevska, Jelena; Stefkov, Gjoshe; Brezovska, Katerina; Petkovska, Rumenka; Dimitrovska, Aneta

    2016-02-01

    Within this research, a headspace (HS) gas chromatography-flame ionization detector-mass spectrometry method was developed for profiling of residual solvents (RSs) in active pharmaceutical ingredients (APIs). Design of experiment was used for optimization of sample preparation, as well as for robustness testing of the method. HS equilibration temperature and dilution medium were detected as parameters with greater impact on the sensitivity, compared with the time used for equilibration of the samples. Regardless of the sample solubility, the use of water for sample preparation was found to be crucial for better sensitivity. The use of a well-designed strategy for method development and robustness testing, additional level of identification confidence, as well as use of internal standard provided a strong and reliable analytical tool for API fingerprinting, thus enabling the authentication of the substance based on the RS profile.

  13. Optimization strategies for sustainable fuel cycle of the BR2 Reactor

    SciTech Connect

    Kalcheva, S.; Van Den Branden, G.; Koonen, E.

    2013-07-01

    The objective of the present study is to achieve a sustainable fuel cycle in a long term of reactor operation applying advanced in-core loading strategies. The optimization criteria concern mainly enhancement of nuclear safety by means of reactivity margins and minimization of the operational fuel cycle cost at a given (constant) power level and same or longer cycle length. An important goal is also to maintain the same or to improve the experimental performances. Current developments are focused on optimization of control rods localization; optimization of fresh and burnt fuel assemblies in-core distribution; optimization of azimuth and axial fuel burn up strategies, including fuel assembly rotating and flipping upside down. (authors)

  14. Optimization of automotive Rankine cycle waste heat recovery under various engine operating condition

    NASA Astrophysics Data System (ADS)

    Punov, Plamen; Milkov, Nikolay; Danel, Quentin; Perilhon, Christelle; Podevin, Pierre; Evtimov, Teodossi

    2017-02-01

    An optimization study of the Rankine cycle as a function of diesel engine operating mode is presented. The Rankine cycle here, is studied as a waste heat recovery system which uses the engine exhaust gases as heat source. The engine exhaust gases parameters (temperature, mass flow and composition) were defined by means of numerical simulation in advanced simulation software AVL Boost. Previously, the engine simulation model was validated and the Vibe function parameters were defined as a function of engine load. The Rankine cycle output power and efficiency was numerically estimated by means of a simulation code in Python(x,y). This code includes discretized heat exchanger model and simplified model of the pump and the expander based on their isentropic efficiency. The Rankine cycle simulation revealed the optimum value of working fluid mass flow and evaporation pressure according to the heat source. Thus, the optimal Rankine cycle performance was obtained over the engine operating map.

  15. Optimization of a closed-cycle OTEC system

    SciTech Connect

    Uehara, H. . Faculty of Science and Engineering); Ikegami, Y. )

    1990-11-01

    Optimization of an ocean thermal energy conversion (OTEC) system is carried out by the Powell method (the method of steepest descent). The parameters in the objective function consist of the velocities of cold sea water and warm sea water passing through the heat exchangers, the phase change temperature, and turbine configuration (specific speed, specific diameter, ratio of blade to diameter). Numerical results are shown for a 100 MW OTEC plant with plate-type heat exchangers using ammonia as working fluid, and are compared with calculation results for the case when the turbine efficiency is fixed.

  16. Advanced power cycles and configurations for solar towers: Modeling and optimization of the decoupled solar combined cycle concept

    NASA Astrophysics Data System (ADS)

    García-Barberena, Javier; Olcoz, Asier; Sorbet, Fco. Javier

    2017-06-01

    CSP technologies are essential to allow large shares of renewables into the grid due to their unique ability to cope with the large variability of the energy resource by means of technically and economically feasible thermal energy storage (TES) systems. However, there is still the need and sought to achieve technological breakthroughs towards cost reductions and increased efficiencies. For this, research on advanced power cycles, like the Decoupled Solar Combined Cycle (DSCC) is, are regarded as a key objective. The DSCC concept is, basically, a Combined Brayton-Rankine cycle in which the bottoming cycle is decoupled from the operation of the topping cycle by means of an intermediate storage system. According to this concept, one or several solar towers driving a solar air receiver and a Gas Turbine (Brayton cycle) feed through their exhaust gasses a single storage system and bottoming cycle. This general concept benefits from a large flexibility in its design. On the one hand, different possible schemes related to number and configuration of solar towers, storage systems media and configuration, bottoming cycles, etc. are possible. On the other, within a specific scheme a large number of design parameters can be optimized, including the solar field size, the operating temperatures and pressures of the receiver, the power of the Brayton and Rankine cycles, the storage capacity and others. Heretofore, DSCC plants have been analyzed by means of simple steady-state models with pre-stablished operating parameters in the power cycles. In this work, a detailed transient simulation model for DSCC plants has been developed and is used to analyze different DSCC plant schemes. For each of the analyzed plant schemes, a sensitivity analysis and selection of the main design parameters is carried out. Results show that an increase in annual solar to electric efficiency of 30% (from 12.91 to 16.78) can be achieved by using two bottoming Rankine cycles at two different

  17. Dual-objective optimization of organic Rankine cycle (ORC) systems using genetic algorithm: a comparison between basic and recuperative cycles

    NASA Astrophysics Data System (ADS)

    Hayat, Nasir; Ameen, Muhammad Tahir; Tariq, Muhammad Kashif; Shah, Syed Nadeem Abbas; Naveed, Ahmad

    2017-03-01

    Exploitation of low potential waste thermal energy for useful net power output can be done by manipulating organic Rankine cycle systems. In the current article dual-objectives ({{η}}_{th} and SIC) optimization of ORC systems [basic organic Rankine cycle (BORC) and recuperative organic Rankine cycle (RORC)] has been done using non-dominated sorting genetic algorithm (II). Seven organic compounds (R-123, R-1234ze, R-152a, R-21, R-236ea, R-245ca and R-601) have been employed in basic cycle and four dry compounds (R-123, R-236ea, R-245ca and R-601) have been employed in recuperative cycle to investigate the behaviour of two systems and compare their performance. Sensitivity analyses show that recuperation boosts the thermodynamic behaviour of systems but it also raises specific investment cost significantly. R-21, R-245ca and R-601 show attractive performance in BORC whereas R-601 and R-236ea in RORC. RORC, due to higher total investment cost and operation & maintenance costs, has longer payback periods as compared to BORC.

  18. Dual-objective optimization of organic Rankine cycle (ORC) systems using genetic algorithm: a comparison between basic and recuperative cycles

    NASA Astrophysics Data System (ADS)

    Hayat, Nasir; Ameen, Muhammad Tahir; Tariq, Muhammad Kashif; Shah, Syed Nadeem Abbas; Naveed, Ahmad

    2017-08-01

    Exploitation of low potential waste thermal energy for useful net power output can be done by manipulating organic Rankine cycle systems. In the current article dual-objectives (η_{th} and SIC) optimization of ORC systems [basic organic Rankine cycle (BORC) and recuperative organic Rankine cycle (RORC)] has been done using non-dominated sorting genetic algorithm (II). Seven organic compounds (R-123, R-1234ze, R-152a, R-21, R-236ea, R-245ca and R-601) have been employed in basic cycle and four dry compounds (R-123, R-236ea, R-245ca and R-601) have been employed in recuperative cycle to investigate the behaviour of two systems and compare their performance. Sensitivity analyses show that recuperation boosts the thermodynamic behaviour of systems but it also raises specific investment cost significantly. R-21, R-245ca and R-601 show attractive performance in BORC whereas R-601 and R-236ea in RORC. RORC, due to higher total investment cost and operation & maintenance costs, has longer payback periods as compared to BORC.

  19. Optimization Of The Alternate Cycle In A Membrane Aeration/Filtration Combined Bioreactor

    NASA Astrophysics Data System (ADS)

    Wang, Hongjie; Dong, Wenyi; Yang, Yue; Gan, Guanghua; Li, Weiguang

    2010-11-01

    In this study, a membrane aeration/filtration combined bioreactor (CMBR) was constructed, and the effect of alternate cycle by CMBR on membrane fouling and oxygen utilization efficiency (OUE) was investigated. Results showed that under the condition, when the alternate cycle was 0.75˜3h, the ΔTMP (TMP value of the time when a filtration cycle was over) of CMBR maintained a basically constant value during the 6 days' continuous operation, which implied the CMBR achieved a favorable effect of the membrane fouling relieving. Too short or too long cycle would lead to a gradual increase of ΔTMP. OUE of CMBR increased with the extension of the alternate cycle. Thus, it suggested that the optimal alternate cycle of CMBR should be 3h.

  20. Gas turbine cycle design methodology: A comparison of parameter variation with numerical optimization

    SciTech Connect

    Kurzke, J.

    1999-01-01

    In gas turbine performance simulations often the following question arises: what is the best thermodynamic cycle design point? This is an optimization task which can be attacked in two ways. One can do a series of parameter variations and pick from the resulting graphs the best solution or one can employ numerical optimization algorithms that produce a single cycle that fulfills all constraints. The conventional parameter study builds strongly on the engineering judgment and gives useful information over a range of parameter selections. However, when values for more than a few variables have to be determined while several constraints are existing, then numerical optimization routines can help to find the mathematical optimum faster and more accurately. Sometimes even an outstanding solution is found which was overlooked while doing a preliminary parameter study. For any simulation task a sophisticated graphical user interface is of great benefit. This is especially true for automated numerical optimizations. It is quite helpful to see on the screen of a PC how the variables are changing and which constraints are limiting the design. A quick and clear graphical representation of trade studies is also of great advantage. The paper describes how numerical optimization and parameter studies are implemented in a Windows-based PC program. As an example, the cycle selection of a derivative turbofan engine with a given core shows the merits of numerical optimization. The parameter variation is best suited for presenting the sensitivity of the result in the neighborhood of the optimum cycle design point.

  1. Market-Based and System-Wide Fuel Cycle Optimization

    SciTech Connect

    Wilson, Paul

    2016-06-02

    The Dynamic Resource Exchange (DRE) gives agency to consumer facilities to determine the preference of any particular trade that is offered by suppliers to satisfy its requests. This provides a natural balance of power in the relationship between consumers and suppliers. However, in situations in which suppliers have flexibility surrounding the way that they respond to individual requests, they have no mechanism to assess how different bids will be received by the consumer. Theoretically, a supplier can offer multiple bids to respond to a given request in an attempt to “cover their bases”, but this introduces more arcs into the underlying network flow problem, increasing the cost to solve the problem. In the extreme, when a supplier can continuously vary the characteristics of the bid, this can represent a large number of additional arcs and have real performance consequences. To remedy this inefficiency in the implementation of the market-level optimization, the definition of a request has been extended to include a function that can be used by the supplier to query the preference that would be assigned by a consumer for a potential bid. The supplier is then free to implement arbitrarily complex algorithms to revise/optimize its bid based on responses to this function. A supplier can chose to not invoke the function at all, mimicking the original DRE behavior, can use it to select among a small set of discrete choices, or can implement an internal algorithm to seek an optimum bid on a continuous parameter space. This capability was demonstrated with a storage facility that preferred material with a specific decay heat that was as close as possible to the maximum allowable decay heat, while requiring the specific decay heat to fall between a minimum and maximum level. This archetype was used to fill multiple storage roles in a simulation that also included a standard recipe reactor: wet storage with no maximum allowable specific decay heat, dry storage with a

  2. Optimization process condition for deacidification of palm oil by liquid-liquid extraction using NADES (Natural Deep Eutectic Solvent)

    NASA Astrophysics Data System (ADS)

    Israyandi, Zahrina, Ida; Mulia, Kamarza

    2017-03-01

    One of many steps in palm oil refining process is deacidification which aims to separate free fatty acids and other compounds from the oil. The deacidification process was using a green solvent, known as NADES, that consisted of betaine monohydrate and propionic acid at molar ratio of 1:8. In this study, the process conditions were optimized using the response surface method (RSM) through central composite design in order to predict the maximum distribution coefficient of palmitic acid. The obtained regression equation of the basic model for optimization was: y = 0.717 + 0.003x1 + 0.043 x2 + 0.148x3 - 0.005 x1x1 - 0.030 x2x2 + 0.047 x3x3 - 0.008 x1x2 + 0.008 x1x3 + 0.033 x2x3. The independent variables are x1 ≡ temperature (40, 60, 80 °C), x2≡ amount of palmitic acid in the palm oil (2, 5, 8 %) and x3 ≡ mass ratios of oil to NADES (1:2, 1:1, 2:1). The optimum process condition found was temperature of 62.3°C, palmitic acid content of 8%, and NADES to palm oil mass ratio of 1:2, resulting in the maximum distribution coefficient of 0.96.

  3. Optimization and application of homogeneous liquid-liquid extraction in preconcentration of copper (II) in a ternary solvent system.

    PubMed

    Farajzadeh, Mir Ali; Bahram, Morteza; Zorita, Saioa; Mehr, Behzad Ghorbani

    2009-01-30

    In this study a homogeneous liquid-liquid extraction based on the Ph-dependent phase-separation process was investigated using a ternary solvent system (water-acetic acid-chloroform) for the preconcentration of Cu(2+) ions. 8-Hydroxy quinoline was used as the chelating agent prior to its extraction. Flame atomic absorption spectrophotometry using acetylene-air flame was used for the quantitation of analyte after preconcentration. The effect of various experimental parameters in extraction step was investigated using two optimization methods, one variable at a time and central composite design. The experimental design was done at five levels of operating parameters. Nearly the same optimized results were obtained using both methods: sample size, 5 mL; volume of NaOH 10 M, 2 mL; chloroform volume, 300 microL; 8-hydroxy quinoline concentration more than 0.01 M and salt amount did not affect the extraction significantly. Under the optimum conditions the calibration graph was linear over the range 10-2000 microg L(-1). The relative standard deviation was 7.6% for six repeated determinations (C = 500 microg L(-1)). Furthermore, the limit of detection (S/N=3) and limit of quantification (S/N=10) of the method were obtained as 1.74 and 6 microg L(-1), respectively.

  4. Heuristic optimization of pressurized water reactor fuel cycle design under general constraints

    SciTech Connect

    Moon, H.; Levine, S.H. ); Mahgerefteh, M. )

    1989-12-01

    Optimization techniques in fuel management have directed modern fuel cycle designs to use low-leakage loading patterns. Future optimization calculations involving low-leakage patterns must utilize nucleonic models that are both fast operationally and rigorous. A two-dimensional two-group diffusion theory code is developed and lattice homogenization constants are generated using a modified LEOPARD code to fulfill these criteria. Based on these two codes, a heuristic optimization study is performed that considers the general constraints (e.g., spent-fuel storage limit and mechanical burnup limit) given to a utility fuel cycle designer. The optimum cycle length that minimizes the fuel cost is {approximately} 600 effective full-power days for the conditions assumed.

  5. The evolution of life cycle complexity in aphids: Ecological optimization or historical constraint?

    PubMed

    Hardy, Nate B; Peterson, Daniel A; von Dohlen, Carol D

    2015-06-01

    For decades, biologists have debated why many parasites have obligate multihost life cycles. Here, we use comparative phylogenetic analyses of aphids to evaluate the roles of ecological optimization and historical constraint in the evolution of life cycle complexity. If life cycle complexity is adaptive, it should be evolutionarily labile, that is, change in response to selection. We provide evidence that this is true in some aphids (aphidines), but not others (nonaphidines)-groups that differ in the intensity of their relationships with primary hosts. Next, we test specific mechanisms by which life cycle complexity could be adaptive or a constraint. We find that among aphidines there is a strong association between complex life cycles and polyphagy but only a weak correlation between life cycle complexity and reproductive mode. In contrast, among nonaphidines the relationship between life cycle complexity and host breadth is weak but the association between complex life cycles and sexual reproduction is strong. Thus, although the adaptiveness of life cycle complexity appears to be lineage specific, across aphids, life cycle evolution appears to be tightly linked with the evolution of other important natural history traits. © 2015 The Author(s). Evolution © 2015 The Society for the Study of Evolution.

  6. Assessment and optimization of an ultrasound-assisted washing process using organic solvents for polychlorinated biphenyl-contaminated soil.

    PubMed

    Bezama, Alberto; Flores, Alejandra; Araneda, Alberto; Barra, Ricardo; Pereira, Eduardo; Hernández, Víctor; Moya, Heriberto; Konrad, Odorico; Quiroz, Roberto

    2013-10-01

    The goal of this work was to evaluate a washing process that uses organic solutions for polychlorinated biphenyl (PCB)-contaminated soil, and includes an ultrasound pre-treatment step to reduce operational times and organic solvent losses. In a preliminary trial, the suitability of 10 washing solutions of different polarities were tested, from which three n-hexane-based solutions were selected for further evaluation. A second set of experiments was designed using a three-level Taguchi L27 orthogonal array to model the desorption processes of seven different PCB congeners in terms of the variability of their PCB concentration levels, polarity of the washing solution, sonication time, the ratio washing solution/soil, number of extraction steps and total washing time. Linear models were developed for the desorption processes of all congeners. These models provide a good fit with the results obtained. Moreover, statistically significant outcomes were achieved from the analysis of variance tests carried out. It was determined that sonication time and ratio of washing solution/soil were the most influential process parameters. For this reason they were studied in a third set of experiments, constructed as a full factorial design. The process was eventually optimized, achieving desorption rates of more than 90% for all congeners, thus obtaining concentrations lower than 5 ppb in all cases. The use of an ultrasound-assisted soil washing process for PCB-contaminated soils that uses organic solvents seems therefore to be a viable option, especially with the incorporation of an extra step in the sonication process relating to temperature control, which is intended to prevent the loss of the lighter congeners.

  7. The optimization of recycling: Integrating the resource, technological, and life cycles

    NASA Astrophysics Data System (ADS)

    Reuter, M. A.; Boin, U.; Rem, P.; Yang, Y.; Fraunholcz, N.; van Schaik, A.

    2004-08-01

    Market-driven industrial recycling can only be optimized if recycling companies adopt a comprehensive overview and are able to combine and integrate economics with the system engineering of interconnected recycling systems. To succeed in this endeavor, the companies require detailed knowledge of the interaction between the process/quality control, physics, and chemistry of separation technology, and legislation on the materials they are recycling as well as product design. This article summarizes the authors’ practical and fundamental approach to optimizing the resource cycle. The research is focused on areas in the resource cycle where the largest impact will be achieved, as suggested by system perspective and models.

  8. Optimal cure cycle design of a resin-fiber composite laminate

    NASA Technical Reports Server (NTRS)

    Hou, Jean W.; Sheen, Jeenson

    1987-01-01

    A unified computed aided design method was studied for the cure cycle design that incorporates an optimal design technique with the analytical model of a composite cure process. The preliminary results of using this proposed method for optimal cure cycle design are reported and discussed. The cure process of interest is the compression molding of a polyester which is described by a diffusion reaction system. The finite element method is employed to convert the initial boundary value problem into a set of first order differential equations which are solved simultaneously by the DE program. The equations for thermal design sensitivities are derived by using the direct differentiation method and are solved by the DE program. A recursive quadratic programming algorithm with an active set strategy called a linearization method is used to optimally design the cure cycle, subjected to the given design performance requirements. The difficulty of casting the cure cycle design process into a proper mathematical form is recognized. Various optimal design problems are formulated to address theses aspects. The optimal solutions of these formulations are compared and discussed.

  9. Scheduling structural health monitoring activities for optimizing life-cycle costs and reliability of wind turbines

    NASA Astrophysics Data System (ADS)

    Hanish Nithin, Anu; Omenzetter, Piotr

    2017-04-01

    Optimization of the life-cycle costs and reliability of offshore wind turbines (OWTs) is an area of immense interest due to the widespread increase in wind power generation across the world. Most of the existing studies have used structural reliability and the Bayesian pre-posterior analysis for optimization. This paper proposes an extension to the previous approaches in a framework for probabilistic optimization of the total life-cycle costs and reliability of OWTs by combining the elements of structural reliability/risk analysis (SRA), the Bayesian pre-posterior analysis with optimization through a genetic algorithm (GA). The SRA techniques are adopted to compute the probabilities of damage occurrence and failure associated with the deterioration model. The probabilities are used in the decision tree and are updated using the Bayesian analysis. The output of this framework would determine the optimal structural health monitoring and maintenance schedules to be implemented during the life span of OWTs while maintaining a trade-off between the life-cycle costs and risk of the structural failure. Numerical illustrations with a generic deterioration model for one monitoring exercise in the life cycle of a system are demonstrated. Two case scenarios, namely to build initially an expensive and robust or a cheaper but more quickly deteriorating structures and to adopt expensive monitoring system, are presented to aid in the decision-making process.

  10. Maximum power, ecological function and efficiency of an irreversible Carnot cycle: a cost and effectiveness optimization

    NASA Astrophysics Data System (ADS)

    Aragón-González, G.; Canales-Palma, A.; León-Galicia, A.; Morales-Gómez, J. R.

    2008-12-01

    In this work we include, for the Carnot cycle, irreversibilities of linear finite rate of heat transferences between the heat engine and its reservoirs, heat leak between the reservoirs and internal dissipations of the working fluid. A first optimization of the power output, the efficiency and ecological function of an irreversible Carnot cycle, with respect to: internal temperature ratio, time ratio for the heat exchange and the allocation ratio of the heat exchangers; is performed. For the second and third optimizations, the optimum values for the time ratio and internal temperature ratio are substituted into the equation of power and, then, the optimizations with respect to the cost and effectiveness ratio of the heat exchangers are performed. Finally, a criterion of partial optimization for the class of irreversible Carnot engines is herein presented.

  11. A new thermostable and organic solvent-tolerant lipase from Staphylococcus warneri; optimization of media and production conditions using statistical methods.

    PubMed

    Yele, Viraj U; Desai, Krutika

    2015-01-01

    A new thermostable and solvent-tolerant lipase was isolated from newly isolated Staphylococcus warneri from oil-contaminated soil. Optimization of the fermentation media for production of thermostable and organic solvent-tolerant lipase was carried out using two statistical methods, i.e., Plackett-Burman design (PBD) and central composite design (CCD) were used for the optimization of the media components. PBD was used to efficiently select important medium components affecting the lipase production. Out of 15 medium components screened, four components, i.e., olive oil, peptone, maltose, and K2HPO4 were found to contribute positively to lipase production. CCD and response surface methodology (RSM) were used to determine the optimum levels of the selected components using Design-Expert 8.0 software. Production medium with olive oil (1.45 %), peptone (0.28 %), maltose (0.054 %), and K2HPO4 (0.091 %) was optimized with a maximum lipase production of 10.43 IU/ml/min. Similarly, production conditions for the lipase production were optimized by using CCD and RSM. Optimized conditions were found to have an incubation temperature of 55 °C, medium pH of 8.0, agitation of 120 rpm, and inoculum volume of 2 %. RSM revealed the maximum lipase production of 17.21 IU/ml using these optimized production conditions. Crude lipase showed enhanced activity in organic solvents such as diethyl ether, hexane, and cyclohexane.

  12. Optimal cure cycle design for autoclave processing of thick composites laminates: A feasibility study

    NASA Technical Reports Server (NTRS)

    Hou, Jean W.

    1985-01-01

    The thermal analysis and the calculation of thermal sensitivity of a cure cycle in autoclave processing of thick composite laminates were studied. A finite element program for the thermal analysis and design derivatives calculation for temperature distribution and the degree of cure was developed and verified. It was found that the direct differentiation was the best approach for the thermal design sensitivity analysis. In addition, the approach of the direct differentiation provided time histories of design derivatives which are of great value to the cure cycle designers. The approach of direct differentiation is to be used for further study, i.e., the optimal cycle design.

  13. Solvent-free enzymatic transesterification of ethyl ferulate and monostearin: optimized by response surface methodology.

    PubMed

    Sun, Shangde; Song, Fanfan; Bi, Yanlan; Yang, Guolong; Liu, Wei

    2012-12-15

    In this study, enzymatic transesterification of ethyl ferulate (EF) and monostearin for feruloylated lipids production was investigated. Enzyme screening and the effect of feruloyl acceptors on the transesterification were also studied. Effects of reaction variables (reaction temperatures, enzyme load, and reaction time) on the transesterification were optimized using response surface methodology (RSM). The optimum conditions were as follows: reaction temperature 74°C, reaction time 23h, and enzyme load 20% (w/w, relative to the weight of substrates). Under these conditions, EF conversion was 98.3±1.1%, and the transesterification product was consisted of 19.2±2.1% glyceryl ferulate (FG), 32.9±1.9% diferuloylated glycerols (DFG), 36.6±2.2% feruloylated monoacylglycerols (FMAG), 9.1±2.0% feruloylated diacylglycerols (FDAG), and 0.5% ferulic acid (FA). Analysis of variance (ANOVA) showed that the regression equation was adequate for predicting EF conversion. The activation energies for hydrolysis to form FG+DFG and transesterification to form FMAG+FDAG were calculated as 22.45 and 51.05kJ/mol, respectively, based on Arrhenius law. Copyright © 2013 Elsevier B.V. All rights reserved.

  14. Optimal timing for performing hysterectomy according to different phase of menstrual cycle: Which is best?

    PubMed

    Kim, Jeong Jin; Kang, Jun Hyeok; Lee, Kyo Won; Kim, Kye Hyun; Song, Taejong

    2017-05-01

    The aim of this study was to determine whether the different phases of the menstrual cycle could affect operative bleeding in women undergoing laparoscopic hysterectomy. This was a retrospective comparative study. Based on the adjusted day of menstrual cycle, 212 women who underwent laparoscopic hysterectomy were classified into three groups: the follicular phase (n = 51), luteal phase group (n = 125), and menstruation group (n = 36). The primary outcome measure was the operative bleeding. There was no difference in the baseline characteristics of the patients belonging to the three groups. For the groups, there were no significant differences in operative bleeding (p = .469) and change in haemoglobin (p = .330), including operative time, length of hospital stay and complications. The menstrual cycle did not affect the operative bleeding and other parameters. Therefore, no phase of the menstrual cycle could be considered as an optimal timing for performing laparoscopic hysterectomy with minimal operative bleeding. Impact statement What is already known on this subject: the menstrual cycle results in periodic changes in haemostasis and blood flow in the reproductive organs. What the results of this study add: the menstrual cycle did not affect the operative bleeding and other operative parameters during laparoscopic hysterectomy. What the implications are of these findings for clinical practice and/or further research: no phase of the menstrual cycle could be considered as an optimal timing for performing laparoscopic hysterectomy with minimal operative bleeding.

  15. Sensitivity Analysis and Optimization of the Nuclear Fuel Cycle: A Systematic Approach

    NASA Astrophysics Data System (ADS)

    Passerini, Stefano

    For decades, nuclear energy development was based on the expectation that recycling of the fissionable materials in the used fuel from today's light water reactors into advanced (fast) reactors would be implemented as soon as technically feasible in order to extend the nuclear fuel resources. More recently, arguments have been made for deployment of fast reactors in order to reduce the amount of higher actinides, hence the longevity of radioactivity, in the materials destined to a geologic repository. The cost of the fast reactors, together with concerns about the proliferation of the technology of extraction of plutonium from used LWR fuel as well as the large investments in construction of reprocessing facilities have been the basis for arguments to defer the introduction of recycling technologies in many countries including the US. In this thesis, the impacts of alternative reactor technologies on the fuel cycle are assessed. Additionally, metrics to characterize the fuel cycles and systematic approaches to using them to optimize the fuel cycle are presented. The fuel cycle options of the 2010 MIT fuel cycle study are re-examined in light of the expected slower rate of growth in nuclear energy today, using the CAFCA (Code for Advanced Fuel Cycle Analysis). The Once Through Cycle (OTC) is considered as the base-line case, while advanced technologies with fuel recycling characterize the alternative fuel cycle options available in the future. The options include limited recycling in L WRs and full recycling in fast reactors and in high conversion LWRs. Fast reactor technologies studied include both oxide and metal fueled reactors. Additional fuel cycle scenarios presented for the first time in this work assume the deployment of innovative recycling reactor technologies such as the Reduced Moderation Boiling Water Reactors and Uranium-235 initiated Fast Reactors. A sensitivity study focused on system and technology parameters of interest has been conducted to test

  16. A Multiobjective Optimization Including Results of Life Cycle Assessment in Developing Biorenewables-Based Processes.

    PubMed

    Helmdach, Daniel; Yaseneva, Polina; Heer, Parminder K; Schweidtmann, Artur M; Lapkin, Alexei A

    2017-09-22

    A decision support tool has been developed that uses global multiobjective optimization based on 1) the environmental impacts, evaluated within the framework of full life cycle assessment; and 2) process costs, evaluated by using rigorous process models. This approach is particularly useful in developing biorenewable-based energy solutions and chemicals manufacturing, for which multiple criteria must be evaluated and optimization-based decision-making processes are particularly attractive. The framework is demonstrated by using a case study of the conversion of terpenes derived from biowaste feedstocks into reactive intermediates. A two-step chemical conversion/separation sequence was implemented as a rigorous process model and combined with a life cycle model. A life cycle inventory for crude sulfate turpentine was developed, as well as a conceptual process of its separation into pure terpene feedstocks. The performed single- and multiobjective optimizations demonstrate the functionality of the optimization-based process development and illustrate the approach. The most significant advance is the ability to perform multiobjective global optimization, resulting in identification of a region of Pareto-optimal solutions. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Entransy and exergy analyses for optimizations of heat-work conversion with carnot cycle

    NASA Astrophysics Data System (ADS)

    Han, Chul Ho; Kim, Kyoung Hoon

    2016-06-01

    The concept of entransy has been newly proposed in terms of the analogy between heat and electrical conduction and could be useful in analyzing and optimizing the heat-work conversion systems. This work presents comparative analyses of entransy and exergy for optimizations of heat-work conversion. The work production and heat transfer processes in Carnot cycle system are investigated with the formulations of exergy destruction, entransy loss, work entransy, entransy dissipation, and efficiencies for both cases of dumping and non-dumping of used source fluid. The effects of source and condensation temperatures on the system performance are systematically investigated for optimal condition of producing maximum work or work entransy.

  18. Coordinated optimization of the parameters of the cooled gas-turbine flow path and the parameters of gas-turbine cycles and combined-cycle power plants

    NASA Astrophysics Data System (ADS)

    Kler, A. M.; Zakharov, Yu. B.; Potanina, Yu. M.

    2014-06-01

    In the present paper, we evaluate the effectiveness of the coordinated solution to the optimization problem for the parameters of cycles in gas turbine and combined cycle power plants and to the optimization problem for the gas-turbine flow path parameters within an integral complex problem. We report comparative data for optimizations of the combined cycle power plant at coordinated and separate optimizations, when, first, the gas turbine and, then, the steam part of a combined cycle plant is optimized. The comparative data are presented in terms of economic indicators, energy-effectiveness characteristics, and specific costs. Models that were used in the present study for calculating the flow path enable taking into account, as a factor influencing the economic and energy effectiveness of the power plant, the heat stability of alloys from which the nozzle and rotor blades of gas-turbine stages are made.

  19. Strengthening the revenue cycle: a 4-step method for optimizing payment.

    PubMed

    Clark, Jonathan J

    2008-10-01

    Four steps for enhancing the revenue cycle to ensure optimal payment are: *Establish key performance indicator dashboards in each department that compare current with targeted performance; *Create proper organizational structures for each department; *Ensure that high-performing leaders are hired in all management and supervisory positions; *Implement efficient processes in underperforming operations.

  20. The optimization air separation plants for combined cycle MHD-power plant applications

    NASA Technical Reports Server (NTRS)

    Juhasz, A. J.; Springmann, H.; Greenberg, R.

    1980-01-01

    Some of the design approaches being employed during a current supported study directed at developing an improved air separation process for the production of oxygen enriched air for magnetohydrodynamics (MHD) combustion are outlined. The ultimate objective is to arrive at conceptual designs of air separation plants, optimized for minimum specific power consumption and capital investment costs, for integration with MHD combined cycle power plants.

  1. Optimal design of solid oxide fuel cell, ammonia-water single effect absorption cycle and Rankine steam cycle hybrid system

    NASA Astrophysics Data System (ADS)

    Mehrpooya, Mehdi; Dehghani, Hossein; Ali Moosavian, S. M.

    2016-02-01

    A combined system containing solid oxide fuel cell-gas turbine power plant, Rankine steam cycle and ammonia-water absorption refrigeration system is introduced and analyzed. In this process, power, heat and cooling are produced. Energy and exergy analyses along with the economic factors are used to distinguish optimum operating point of the system. The developed electrochemical model of the fuel cell is validated with experimental results. Thermodynamic package and main parameters of the absorption refrigeration system are validated. The power output of the system is 500 kW. An optimization problem is defined in order to finding the optimal operating point. Decision variables are current density, temperature of the exhaust gases from the boiler, steam turbine pressure (high and medium), generator temperature and consumed cooling water. Results indicate that electrical efficiency of the combined system is 62.4% (LHV). Produced refrigeration (at -10 °C) and heat recovery are 101 kW and 22.1 kW respectively. Investment cost for the combined system (without absorption cycle) is about 2917 kW-1.

  2. OPTIMAL DESIGN AND OPERATION OF HELIUM REFRIGERATION SYSTEMS USING THE GANNI CYCLE

    SciTech Connect

    Venkatarao Ganni, Peter Knudsen

    2010-04-01

    The constant pressure ratio process, as implemented in the floating pressure - Ganni cycle, is a new variation to prior cryogenic refrigeration and liquefaction cycle designs that allows for optimal operation and design of helium refrigeration systems. This cycle is based upon the traditional equipment used for helium refrigeration system designs, i.e., constant volume displacement compression and critical flow expansion devices. It takes advantage of the fact that for a given load, the expander sets the compressor discharge pressure and the compressor sets its own suction pressure. This cycle not only provides an essentially constant system Carnot efficiency over a wide load range, but invalidates the traditional philosophy that the (‘TS’) design condition is the optimal operating condition for a given load using the as-built hardware. As such, the Floating Pressure- Ganni Cycle is a solution to reduce the energy consumption while increasing the reliability, flexibility and stability of these systems over a wide operating range and different operating modes and is applicable to most of the existing plants. This paper explains the basic theory behind this cycle operation and contrasts it to the traditional operational philosophies presently used.

  3. Optimal Design and Operation of Helium Refrigeration Systems Using the Ganni Cycle

    NASA Astrophysics Data System (ADS)

    Ganni, V.; Knudsen, P.

    2010-04-01

    The constant pressure ratio process, as implemented in the floating pressure—Ganni cycle, is a new variation to prior cryogenic refrigeration and liquefaction cycle designs that allows for optimal operation and design of helium refrigeration systems. This cycle is based upon the traditional equipment used for helium refrigeration system designs, i.e., constant volume displacement compression and critical flow expansion devices. It takes advantage of the fact that for a given load, the expander sets the compressor discharge pressure and the compressor sets its own suction pressure. This cycle not only provides an essentially constant system Carnot efficiency over a wide load range, but invalidates the traditional philosophy that the (`TS') design condition is the optimal operating condition for a given load using the as-built hardware. As such, the Floating Pressure-Ganni Cycle is a solution to reduce the energy consumption while increasing the reliability, flexibility and stability of these systems over a wide operating range and different operating modes and is applicable to most of the existing plants. This paper explains the basic theory behind this cycle operation and contrasts it to the traditional operational philosophies presently used.

  4. Reducing California's Greenhouse Gas Emissions through ProductLife-Cycle Optimization

    SciTech Connect

    Masanet, Eric; Price, Lynn; de la Rue du Can, Stephane; Worrell,Ernst

    2005-12-30

    Product life-cycle optimization addresses the reduction ofenvironmental burdens associated with the production, use, andend-of-life stages of a product s life cycle. In this paper, we offer anevaluation of the opportunities related to product life-cycleoptimization in California for two key products: personal computers (PCs)and concrete. For each product, we present the results of an explorativecase study to identify specific opportunities for greenhouse gas (GHG)emissions reductions at each stage of the product life cycle. We thenoffer a discussion of the practical policy options that may exist forrealizing the identified GHG reduction opportunities. The case studiesdemonstrate that there may be significant GHG mitigation options as wellas a number of policy options that could lead to life-cycle GHG emissionsreductions for PCs and concrete in California.

  5. Evaluation and Optimization of a Supercritical Carbon Dioxide Power Conversion Cycle for Nuclear Applications

    SciTech Connect

    Edwin A. Harvego; Michael G. McKellar

    2011-05-01

    There have been a number of studies involving the use of gases operating in the supercritical mode for power production and process heat applications. Supercritical carbon dioxide (CO2) is particularly attractive because it is capable of achieving relatively high power conversion cycle efficiencies in the temperature range between 550°C and 750°C. Therefore, it has the potential for use with any type of high-temperature nuclear reactor concept, assuming reactor core outlet temperatures of at least 550°C. The particular power cycle investigated in this paper is a supercritical CO2 Recompression Brayton Cycle. The CO2 Recompression Brayton Cycle can be used as either a direct or indirect power conversion cycle, depending on the reactor type and reactor outlet temperature. The advantage of this cycle when compared to the helium Brayton Cycle is the lower required operating temperature; 550°C versus 850°C. However, the supercritical CO2 Recompression Brayton Cycle requires an operating pressure in the range of 20 MPa, which is considerably higher than the required helium Brayton cycle operating pressure of 8 MPa. This paper presents results of analyses performed using the UniSim process analyses software to evaluate the performance of the supercritical CO2 Brayton Recompression Cycle for different reactor outlet temperatures. The UniSim model assumed a 600 MWt reactor power source, which provides heat to the power cycle at a maximum temperature of between 550°C and 750°C. The UniSim model used realistic component parameters and operating conditions to model the complete power conversion system. CO2 properties were evaluated, and the operating range for the cycle was adjusted to take advantage of the rapidly changing conditions near the critical point. The UniSim model was then optimized to maximize the power cycle thermal efficiency at the different maximum power cycle operating temperatures. The results of the analyses showed that power cycle thermal

  6. Optimal thermoeconomic performance of an irreversible regenerative ferromagnetic Ericsson refrigeration cycle

    NASA Astrophysics Data System (ADS)

    Xu, Zhichao; Guo, Juncheng; Lin, Guoxing; Chen, Jincan

    2016-07-01

    On the basis of the Langevin theory of classical statistical mechanics, the magnetization, entropy, and iso-field heat capacity of ferromagnetic materials are analyzed and their mathematical expressions are derived. An irreversible regenerative Ericsson refrigeration cycle by using a ferromagnetic material as the working substance is established, in which finite heat capacity rates of low and high temperature reservoirs, non-perfect regenerative heat of the refrigeration cycle, additional regenerative heat loss, etc. are taken into account. Based on the regenerative refrigeration cycle model, a thermoeconomic function is introduced as one objective function and optimized with respect to the temperatures of the working substance in the two iso-thermal processes. By means of numerical calculation, the effects of the effective factor of the heat exchangers in high/low temperature reservoir sides, efficiency of the regenerator, heat capacity rate of the low temperature reservoir, and applied magnetic field on the optimal thermoeconomic function as well as the corresponding cooling rate and coefficient of performance are revealed. The results obtained in this paper can provide some theoretical guidance for the optimal design of actual regenerative magnetic refrigerator cycle.

  7. Blastocyst culture and cryopreservation to optimize clinical outcomes of warming cycles.

    PubMed

    Zhu, Lixia; Xi, Qingsong; Zhang, Hanwang; Li, Yufeng; Ai, Jihui; Jin, Lei

    2013-08-01

    Surplus embryos available for cryopreservation in fresh cycles are considered as having good potential for future use. However, the optimal stage of embryo cryopreservation remains unclear. In this study, 1190 patients with surplus embryos on day 3 were divided into two groups: cleavage-stage embryo cryopreservation (control group) and blastocyst cryopreservation (blastocyst group). The clinical outcomes of the subsequent warming cycles were evaluated. The proportion of cycles with blastocyst formation was 73.8% in the blastocyst group. Although in the blastocyst group, the cancellation rate of blastocyst transfer was increased due to lack of blastocysts available for cryopreservation, the blastocyst group achieved significantly higher rates of clinical pregnancy/cycle (43.2% versus 34.9%; P=0.003), pregnancy/transfer (59.5% versus 35.4%; P<0.001) and implantation (46.5% versus 22.2%; P<0.001) from the first warming cycle compared with the control group. In an embryo-number classified analysis, the clinical pregnancy rate was also higher in the blastocyst group. However, the cumulative pregnancy was similar between the two groups. Blastocyst culture as an embryo selection tool will not improve embryo viability but it will help patients to achieve pregnancy more quickly. Extended culture of surplus embryos to the blastocyst stage for cryopreservation optimizes the clinical outcomes.

  8. Computerized systems analysis and optimization of aircraft engine performance, weight, and life cycle costs

    NASA Technical Reports Server (NTRS)

    Fishbach, L. H.

    1980-01-01

    The computational techniques are described which are utilized at Lewis Research Center to determine the optimum propulsion systems for future aircraft applications and to identify system tradeoffs and technology requirements. Cycle performance, and engine weight can be calculated along with costs and installation effects as opposed to fuel consumption alone. Almost any conceivable turbine engine cycle can be studied. These computer codes are: NNEP, WATE, LIFCYC, INSTAL, and POD DRG. Examples are given to illustrate how these computer techniques can be applied to analyze and optimize propulsion system fuel consumption, weight and cost for representative types of aircraft and missions.

  9. Computerized systems analysis and optimization of aircraft engine performance, weight, and life cycle costs

    NASA Technical Reports Server (NTRS)

    Fishbach, L. H.

    1980-01-01

    The computational techniques are described which are utilized at Lewis Research Center to determine the optimum propulsion systems for future aircraft applications and to identify system tradeoffs and technology requirements. Cycle performance, and engine weight can be calculated along with costs and installation effects as opposed to fuel consumption alone. Almost any conceivable turbine engine cycle can be studied. These computer codes are: NNEP, WATE, LIFCYC, INSTAL, and POD DRG. Examples are given to illustrate how these computer techniques can be applied to analyze and optimize propulsion system fuel consumption, weight and cost for representative types of aircraft and missions.

  10. Optimization of wave rotors for use as gas turbine engine topping cycles

    NASA Technical Reports Server (NTRS)

    Wilson, Jack; Paxson, Daniel E.

    1995-01-01

    Use of a wave rotor as a topping cycle for a gas turbine engine can improve specific power and reduce specific fuel consumption. Maximum improvement requires the wave rotor to be optimized for best performance at the mass flow of the engine. The optimization is a trade-off between losses due to friction and passage opening time, and rotational effects. An experimentally validated, one-dimensional CFD code, which includes these effects, has been used to calculate wave rotor performance, and find the optimum configuration. The technique is described, and results given for wave rotors sized for engines with sea level mass flows of 4, 26, and 400 lb/sec.

  11. Construction and optimization of a quantum analog of the Carnot cycle.

    PubMed

    Xiao, Gaoyang; Gong, Jiangbin

    2015-07-01

    The quantum analog of Carnot cycles in few-particle systems consists of two quantum adiabatic steps and two isothermal steps. This construction is formally justified by use of a minimum work principle. It is then shown, using minimal assumptions of work or heat in nanoscale systems, that the heat-to-work efficiency of such quantum heat engine cycles can be further optimized via two conditions regarding the expectation value of some generalized force operators evaluated at equilibrium states. In general the optimized efficiency is system specific, lower than the Carnot efficiency, and dependent upon both temperatures of the cold and hot reservoirs. Simple computational examples are used to illustrate our theory. The results should be an important guide towards the design of favorable working conditions of a realistic quantum heat engine.

  12. Construction and optimization of a quantum analog of the Carnot cycle

    NASA Astrophysics Data System (ADS)

    Xiao, Gaoyang; Gong, Jiangbin

    2015-07-01

    The quantum analog of Carnot cycles in few-particle systems consists of two quantum adiabatic steps and two isothermal steps. This construction is formally justified by use of a minimum work principle. It is then shown, using minimal assumptions of work or heat in nanoscale systems, that the heat-to-work efficiency of such quantum heat engine cycles can be further optimized via two conditions regarding the expectation value of some generalized force operators evaluated at equilibrium states. In general the optimized efficiency is system specific, lower than the Carnot efficiency, and dependent upon both temperatures of the cold and hot reservoirs. Simple computational examples are used to illustrate our theory. The results should be an important guide towards the design of favorable working conditions of a realistic quantum heat engine.

  13. Mixed solvents for the optimization of morphology in solution-processed, inverted-type perovskite/fullerene hybrid solar cells.

    PubMed

    Kim, Hak-Beom; Choi, Hyosung; Jeong, Jaeki; Kim, Seongbeom; Walker, Bright; Song, Seyeong; Kim, Jin Young

    2014-06-21

    We investigate mixed solvents of N,N-dimethylformamide (DMF) and γ-butyrolactone (GBL) to produce the smooth surface of a perovskite film and uniform crystal domains. This ideal morphology from mixed solvents enhances the power conversion efficiency to over 6% by improving the exciton dissociation efficiency and reducing the recombination loss at both interfaces of PEDOT:PSS/perovskite and perovskite/PCBM.

  14. Optimization of the performance characteristics in an irreversible magnetic Ericsson refrigeration cycle

    NASA Astrophysics Data System (ADS)

    Xia, Z. R.; Ye, X. M.; Lin, G. X.; Brück, E.

    2006-05-01

    A general model of an irreversible Ericsson refrigeration cycle employing paramagnetic materials as the working substance is presented, in which multi-irreversibilities such as finite-rate heat transfer, regenerative loss, heat leak, efficiency of regenerator and internal irreversibility resulting from magnetic working substances are taken into account. On the basis of the general thermodynamic properties of paramagnetic materials and the optimal-control theory, the optimal mathematical expressions of cooling load, coefficient of performance and power input of the irreversible Ericsson refrigeration cycle using paramagnetic materials as the working substance are derived. By means of a numerical approach, the influence of the heat leak, the internal irreversibility, the efficiency of regenerator, the ratio of the magnetic fields on the cyclic performance characteristics of the refrigeration cycle are revealed and discussed in detail. Some important performance bounds, e.g. the maximum cooling load and the corresponding coefficient of performance, the maximum coefficient of performance and the corresponding cooling load, are determined and evaluated. Furthermore, several special cases may be deduced from the primary results in this paper. The conclusions obtained in the present paper are more general and useful than those existing in literature and can provide some new important information for the optimal design and performance improvement of magnetic refrigerators.

  15. Applicability of the minimum entropy generation method for optimizing thermodynamic cycles

    NASA Astrophysics Data System (ADS)

    Cheng, Xue-Tao; Liang, Xin-Gang

    2013-01-01

    Entropy generation is often used as a figure of merit in thermodynamic cycle optimizations. In this paper, it is shown that the applicability of the minimum entropy generation method to optimizing output power is conditional. The minimum entropy generation rate and the minimum entropy generation number do not correspond to the maximum output power when the total heat into the system of interest is not prescribed. For the cycles whose working medium is heated or cooled by streams with prescribed inlet temperatures and prescribed heat capacity flow rates, it is theoretically proved that both the minimum entropy generation rate and the minimum entropy generation number correspond to the maximum output power when the virtual entropy generation induced by dumping the used streams into the environment is considered. However, the minimum principle of entropy generation is not tenable in the case that the virtual entropy generation is not included, because the total heat into the system of interest is not fixed. An irreversible Carnot cycle and an irreversible Brayton cycle are analysed. The minimum entropy generation rate and the minimum entropy generation number do not correspond to the maximum output power if the heat into the system of interest is not prescribed.

  16. Crude extract and solvent fractions of Calystegia soldanella induce G1 and S phase arrest of the cell cycle in HepG2 cells

    PubMed Central

    Lee, Jung Im; Kim, In-Hye; Nam, Taek-Jeong

    2017-01-01

    The representative halophyte Calystegia soldanella (L) Roem. et Schult is a perennial vine herb that grows in coastal dunes throughout South Korea as well as in other regions around the world. This plant has long been used as an edible and medicinal herb to cure rheumatic arthritis, sore throat, dropsy, and scurvy. Some studies have also shown that this plant species exhibits various biological activities. However, there are few studies on cytotoxicity induced by C. soldanella treatment in HepG2 human hepatocellular carcinoma cells. In this study, we investigated the viability of HepG2 cells following treatment with crude extracts and four solvent-partitioned fractions of C. soldanella. Of the crude extract and four solvent fractions tested, treatment with the 85% aqueous methanol (aq. MeOH) fraction resulted in the greatest inhibition of HepG2 cell proliferation. Flow cytometry showed that the 85% aq. MeOH fraction induced a G0/G1 and S phase arrest of the cell cycle progression. The 85% aq. MeOH fraction arrested HepG2 cells at the G0/G1 phase in a concentration-dependent manner, and resulted in decreased expression of cyclin D1, cyclin E, cyclin-dependent kinase (CDK)2, CDK4, CDK6, p21, and p27. Additionally, the 85% aq. MeOH fraction treatment also arrested HepG2 cells in the S phase, with decreased expression of cyclin A, CDK2, and CDC25A. Also, treatment with this fraction reduced the expression of retinoblastoma (RB) protein and the transcription factor E2F. These results suggest that the 85% aq. MeOH fraction exhibits potential anticancer activity in HepG2 cells by inducing G0/G1 and S phase arrest of the cell cycle. PMID:28101580

  17. A viscous solvent enables information transfer from gene-length nucleic acids in a model prebiotic replication cycle.

    PubMed

    He, Christine; Gállego, Isaac; Laughlin, Brandon; Grover, Martha A; Hud, Nicholas V

    2017-04-01

    Many hypotheses concerning the nature of early life assume that genetic information was once transferred through the template-directed synthesis of RNA, before the emergence of coded enzymes. However, attempts to demonstrate enzyme-free, template-directed synthesis of nucleic acids have been limited by 'strand inhibition', whereby transferring information from a template strand in the presence of its complementary strand is inhibited by the stability of the template duplex. Here, we use solvent viscosity to circumvent strand inhibition, demonstrating information transfer from a gene-length template (>300 nt) within a longer (545 bp or 3 kb) duplex. These results suggest that viscous environments on the prebiotic Earth, generated periodically by water evaporation, could have facilitated nucleic acid replication-particularly of long, structured sequences such as ribozymes. Our approach works with DNA and RNA, suggesting that viscosity-mediated replication is possible for a range of genetic polymers, perhaps even for informational polymers that may have preceded RNA.

  18. A viscous solvent enables information transfer from gene-length nucleic acids in a model prebiotic replication cycle

    NASA Astrophysics Data System (ADS)

    He, Christine; Gállego, Isaac; Laughlin, Brandon; Grover, Martha A.; Hud, Nicholas V.

    2016-10-01

    Many hypotheses concerning the nature of early life assume that genetic information was once transferred through the template-directed synthesis of RNA, before the emergence of coded enzymes. However, attempts to demonstrate enzyme-free, template-directed synthesis of nucleic acids have been limited by 'strand inhibition', whereby transferring information from a template strand in the presence of its complementary strand is inhibited by the stability of the template duplex. Here, we use solvent viscosity to circumvent strand inhibition, demonstrating information transfer from a gene-length template (>300 nt) within a longer (545 bp or 3 kb) duplex. These results suggest that viscous environments on the prebiotic Earth, generated periodically by water evaporation, could have facilitated nucleic acid replication—particularly of long, structured sequences such as ribozymes. Our approach works with DNA and RNA, suggesting that viscosity-mediated replication is possible for a range of genetic polymers, perhaps even for informational polymers that may have preceded RNA.

  19. A viscous solvent enables information transfer from gene-length nucleic acids in a model prebiotic replication cycle

    NASA Astrophysics Data System (ADS)

    He, Christine; Gállego, Isaac; Laughlin, Brandon; Grover, Martha A.; Hud, Nicholas V.

    2017-04-01

    Many hypotheses concerning the nature of early life assume that genetic information was once transferred through the template-directed synthesis of RNA, before the emergence of coded enzymes. However, attempts to demonstrate enzyme-free, template-directed synthesis of nucleic acids have been limited by 'strand inhibition', whereby transferring information from a template strand in the presence of its complementary strand is inhibited by the stability of the template duplex. Here, we use solvent viscosity to circumvent strand inhibition, demonstrating information transfer from a gene-length template (>300 nt) within a longer (545 bp or 3 kb) duplex. These results suggest that viscous environments on the prebiotic Earth, generated periodically by water evaporation, could have facilitated nucleic acid replication—particularly of long, structured sequences such as ribozymes. Our approach works with DNA and RNA, suggesting that viscosity-mediated replication is possible for a range of genetic polymers, perhaps even for informational polymers that may have preceded RNA.

  20. Optimization Study of Ultra-Long Cycle Fast Reactor Core Concept

    SciTech Connect

    Kim, T. K.; Tak, Taewoo; Lee, Deokjung; Hong, Ser Gi

    2014-11-01

    An optimization of an Ultra-long Cycle Fast Reactor (UCFR) design with a power rating of 1000 MW(electric), UCFR-1000, has been performed. Firstly, geometric optimization has been performed in the aspects of core size and core shape in terms of thermal–hydraulic (TH) feedback. Secondly, fuel composition optimization has been performed by adopting pressurized water reactor (PWR) spent fuel (SF) as a blanket material as well as natural uranium (NU). Thirdly, thorium has been loaded in the inner core for the optimization of radial power distribution. Lastly, a small-size UCFR with a power rate of 100 MWe has been developed with optimization of maximum neutron flux and fast neutron fluence limit for a short term deployable nuclear reactor. The equivalent diameter and the height of the optimized UCFR-1000 core are 5.9 and 2.4 m, respectively, while the equivalent diameter and the height of the optimized UCFR-100 core are 4.3 and 1.0 m, respectively. The size of the optimized UCFR-1000 has been enlarged in the radial direction and shortened in the axial direction from those of the initial UCFR design (Tak et al., 2013a) and this modification makes the burning speed of active core movement slower. It has been confirmed for both designs that a full-power operation of 60 years without refueling is feasible with respect to isotopics and criticality by a breed-and-burn strategy. The core performance characteristics of both designs have been evaluated in terms of axial/radial power shapes, neutron flux and nuclide distributions, breeding ratio, reactivity feedback coefficients, control rod worth, etc. By the design optimization study in this paper, the reductions of maximum neutron flux, fast neutron fluence, and axial/radial power peaking have been achieved, which are favorable for the safety of the UCFR.

  1. Optimization of the performance characteristics in an irreversible regeneration magnetic Brayton refrigeration cycle

    NASA Astrophysics Data System (ADS)

    Wang, Hao; Wu, GuoXing

    2012-02-01

    A model of the irreversible regenerative Brayton refrigeration cycle working with paramagnetic materials is established, in which the regeneration problem in two constant-magnetic field processes and the irreversibility in two adiabatic processes are considered synthetically. Expressions for the COP, cooling rate, power input, the minimum ratio of the two magnetic fields, etc., are derived. It is found that the influence of the irreversibility and the regeneration on the main performance parameters of the magnetic Brayton refrigerator is remarkable. It is important that we have obtained several optimal criteria, which may provide some theoretical basis for the optimal design and operation of the Brayton refrigerator. The results obtained in the paper can provide some new theoretical information for the optimal design and performance improvement of real Brayton refrigerators.

  2. Cost versus life cycle assessment-based environmental impact optimization of drinking water production plants.

    PubMed

    Capitanescu, F; Rege, S; Marvuglia, A; Benetto, E; Ahmadi, A; Gutiérrez, T Navarrete; Tiruta-Barna, L

    2016-07-15

    Empowering decision makers with cost-effective solutions for reducing industrial processes environmental burden, at both design and operation stages, is nowadays a major worldwide concern. The paper addresses this issue for the sector of drinking water production plants (DWPPs), seeking for optimal solutions trading-off operation cost and life cycle assessment (LCA)-based environmental impact while satisfying outlet water quality criteria. This leads to a challenging bi-objective constrained optimization problem, which relies on a computationally expensive intricate process-modelling simulator of the DWPP and has to be solved with limited computational budget. Since mathematical programming methods are unusable in this case, the paper examines the performances in tackling these challenges of six off-the-shelf state-of-the-art global meta-heuristic optimization algorithms, suitable for such simulation-based optimization, namely Strength Pareto Evolutionary Algorithm (SPEA2), Non-dominated Sorting Genetic Algorithm (NSGA-II), Indicator-based Evolutionary Algorithm (IBEA), Multi-Objective Evolutionary Algorithm based on Decomposition (MOEA/D), Differential Evolution (DE), and Particle Swarm Optimization (PSO). The results of optimization reveal that good reduction in both operating cost and environmental impact of the DWPP can be obtained. Furthermore, NSGA-II outperforms the other competing algorithms while MOEA/D and DE perform unexpectedly poorly. Copyright © 2016 Elsevier Ltd. All rights reserved.

  3. Optimization of a solar powered absorption cycle under Abu Dhabi's weather conditions

    SciTech Connect

    Al-Alili, A.; Hwang, Y.; Radermacher, R.; Kubo, I.

    2010-12-15

    In order for the solar absorption air conditioners to become a real alternative to the conventional vapour compression systems, their performance has to be improved and their total cost has to be reduced. A solar powered absorption cycle is modeled using the Transient System Simulation (TRNSYS) program and Typical Meteorological Year 2 data of Abu Dhabi. It uses evacuated tube collectors to drive a 10 kW ammonia-water absorption chiller. Firstly, the system performance and its total cost are optimized separately using single objective optimization algorithms. The design variables considered are: the collector slope, the collector mass flow rate, the collector area and the storage tank volume. The single objective optimization results show that MATLAB global optimization methods agree with the TRNSYS optimizer. Secondly, MATLAB is used to solve a multi-objective optimization problem to improve the system's performance and cost, simultaneously. The optimum designs are presented using Pareto curve and show the potential improvements of the baseline system. (author)

  4. Production of Alkaline Protease by Solvent-Tolerant Alkaliphilic Bacillus circulans MTCC 7942 Isolated from Hydrocarbon Contaminated Habitat: Process Parameters Optimization.

    PubMed

    Patil, Ulhas; Chaudhari, Ambalal

    2013-01-01

    In the present investigation, a newly isolated organic solvent-tolerant and alkaliphilic bacterial strain was reported from a hydrocarbon (gasoline and diesel) contaminated soil collected from the petrol station, Shirpur (India). The strain was identified as Bacillus circulans MTCC 7942, based on phenotype, biochemical, and phylogenetic analysis of 16S rRNA gene sequence. The capability of Bacillus circulans to secrete an extracellular, thermostable, alkaline protease and grow in the presence of organic solvents was explored. Bacillus circulans produced maximum alkaline protease (412 U/mL) in optimized medium (g/L): soybean meal, 15; starch, 10; KH2PO4, 1; MgSO4·7H2O, 0.05; CaCl2, 1; Na2CO3, 8; pH 10.0 at 37°C and 100 rpm. The competence of strain to grow in various organic solvents-n-octane, dodecane, n-decane, N,N-dimethylformamide, n-hexane, and dimethyl sulfoxide, establishes its potential as solvent-stable protease source for the possible applications in nonaqueous reactions and fine chemical synthesis.

  5. Steady-state simulation and optimization of an integrated gasification combined cycle power plant with CO2 capture

    SciTech Connect

    Bhattacharyya, D.; Turton, R.; Zitney, S.

    2011-01-01

    Integrated gasification combined cycle (IGCC) plants are a promising technology option for power generation with carbon dioxide (CO2) capture in view of their efficiency and environmental advantages over conventional coal utilization technologies. This paper presents a three-phase, top-down, optimization-based approach for designing an IGCC plant with precombustion CO2 capture in a process simulator environment. In the first design phase, important global design decisions are made on the basis of plant-wide optimization studies with the aim of increasing IGCC thermal efficiency and thereby making better use of coal resources and reducing CO2 emissions. For the design of an IGCC plant with 90% CO2 capture, the optimal combination of the extent of carbon monoxide (CO) conversion in the water-gas shift (WGS) reactors and the extent of CO2 capture in the SELEXOL process, using dimethylether of polyethylene glycol as the solvent, is determined in the first phase. In the second design phase, the impact of local design decisions is explored considering the optimum values of the decision variables from the first phase as additional constraints. Two decisions are made focusing on the SELEXOL and Claus unit. In the third design phase, the operating conditions are optimized considering the optimum values of the decision variables from the first and second phases as additional constraints. The operational flexibility of the plant must be taken into account before taking final design decisions. Two studies on the operational flexibility of the WGS reactors and one study focusing on the operational flexibility of the sour water stripper (SWS) are presented. At the end of the first iteration, after executing all the phases once, the net plant efficiency (HHV basis) increases to 34.1% compared to 32.5% in a previously published study (DOE/NETL-2007/1281; National Energy Technology Laboratory, 2007). The study shows that the three-phase, top-down design approach presented is very

  6. Optimized Solvent for Energy-Efficient, Environmentally-Friendly Capture of CO{sub 2} at Coal-Fired Power Plants

    SciTech Connect

    Farthing, G. A.; Rimpf, L. M.

    2014-04-30

    The overall goal of this project, as originally proposed, was to optimize the formulation of a novel solvent as a critical enabler for the cost-effective, energy-efficient, environmentally-friendly capture of CO{sub 2} at coal-fired utility plants. Aqueous blends of concentrated piperazine (PZ) with other compounds had been shown to exhibit high rates of CO{sub 2} absorption, low regeneration energy, and other desirable performance characteristics during an earlier 5-year development program conducted by B&W. The specific objective of this project was to identify PZ-based solvent formulations that globally optimize the performance of coal-fired power plants equipped with CO{sub 2} scrubbing systems. While previous solvent development studies have tended to focus on energy consumption and absorber size, important issues to be sure, the current work seeks to explore, understand, and optimize solvent formulation across the full gamut of issues related to commercial application of the technology: capital and operating costs, operability, reliability, environmental, health and safety (EH&S), etc. Work on the project was intended to be performed under four budget periods. The objective of the work in the first budget period has been to identify several candidate formulations of a concentrated PZ-based solvent for detailed characterization and evaluation. Work in the second budget period would generate reliable and comprehensive property and performance data for the identified formulations. Work in the third budget period would quantify the expected performance of the selected formulations in a commercial CO{sub 2} scrubbing process. Finally, work in the fourth budget period would provide a final technology feasibility study and a preliminary technology EH&S assessment. Due to other business priorities, however, B&W has requested that this project be terminated at the end of the first budget period. This document therefore serves as the final report for this project. It

  7. Proposing a novel combined cycle for optimal exergy recovery of liquefied natural gas

    NASA Astrophysics Data System (ADS)

    Salimpour, M. R.; Zahedi, M. A.

    2012-08-01

    The effective utilization of the cryogenic exergy associated with liquefied natural gas (LNG) vaporization is important. In this paper, a novel combined power cycle is proposed which utilizes LNG in different ways to enhance the power generation of a power plant. In addition to the direct expansion in the appropriate expander, LNG is used as a low-temperature heat sink for a middle-pressure gas cycle which uses nitrogen as working fluid. Also, LNG is used to cool the inlet air of an open Brayton gas turbine cycle. These measures are accomplished to improve the exergy recovery of LNG. In order to analyze the performance of the system, the influence of several key parameters such as pressure ratio of LNG turbine, ratio of the mass flow rate of LNG to the mass flow rate of air, pressure ratio of different compressors, LNG pressure and inlet pressure of nitrogen compressor, on the thermal efficiency and exergy efficiency of the offered cycle is investigated. Finally, the proposed combined cycle is optimized on the basis of first and second laws of thermodynamics.

  8. Structurally optimized analogs of the retrograde trafficking inhibitor Retro-2cycl limit Leishmania infections.

    PubMed

    Craig, Evan; Huyghues-Despointes, Charles-Eugene; Yu, Chun; Handy, Emma L; Sello, Jason K; Kima, Peter E

    2017-05-01

    In infected mammalian cells, Leishmania parasites reside within specialized compartments called parasitophorous vacuoles (LPVs). We have previously shown that Retro-2, a member of a novel class of small retrograde pathway inhibitors caused reduced LPV sizes and lower parasite numbers during experimental L. mexicana sp. infections. The purpose of this study was to determine if structural analogs of Retro-2cycl reported to have superior potency in the inhibition of retrograde pathway-dependent phenomena (i.e., polyomavirus cellular infection by polyomavrius and Shiga toxin trafficking in cells) are also more effective than the parent compound at controlling Leishmania infections. In addition to their effects on LPV development, we show that two optimized analogs of Retro-2cycl, DHQZ 36 and DHQZ 36.1 limit Leishmania amazonensis infection in macrophages at EC50 of 13.63+/-2.58μM and10.57+/-2.66μM, respectively, which is significantly lower than 40.15μM the EC50 of Retro-2cycl. In addition, these analogs caused a reversal in Leishmania induced suppression of IL-6 release by infected cells after LPS activation. Moreover, we show that in contrast to Retro-2cycl that is Leishmania static, the analogs can kill Leishmania parasites in axenic cultures, which is a desirable attribute for any drug to treat Leishmania infections. Together, these studies validate and extend the published structure-activity relationship analyses of Retro-2cycl.

  9. Time Scale Optimization and the Hunt for Astronomical Cycles in Deep Time Strata

    NASA Astrophysics Data System (ADS)

    Meyers, Stephen R.

    2016-04-01

    A valuable attribute of astrochronology is the direct link between chronometer and climate change, providing a remarkable opportunity to constrain the evolution of the surficial Earth System. Consequently, the hunt for astronomical cycles in strata has spurred the development of a rich conceptual framework for climatic/oceanographic change, and has allowed exploration of the geologic record with unprecedented temporal resolution. Accompanying these successes, however, has been a persistent skepticism about appropriate astrochronologic testing and circular reasoning: how does one reliably test for astronomical cycles in stratigraphic data, especially when time is poorly constrained? From this perspective, it would seem that the merits and promise of astrochronology (e.g., a geologic time scale measured in ≤400 kyr increments) also serves as its Achilles heel, if the confirmation of such short rhythms defies rigorous statistical testing. To address these statistical challenges in astrochronologic testing, a new approach has been developed that (1) explicitly evaluates time scale uncertainty, (2) is resilient to common problems associated with spectrum confidence level assessment and 'multiple testing', and (3) achieves high statistical power under a wide range of conditions (it can identify astronomical cycles when present in data). Designated TimeOpt (for "time scale optimization"; Meyers 2015), the method employs a probabilistic linear regression model framework to investigate amplitude modulation and frequency ratios (bundling) in stratigraphic data, while simultaneously determining the optimal time scale. This presentation will review the TimeOpt method, and demonstrate how the flexible statistical framework can be further extended to evaluate (and optimize upon) complex sedimentation rate models, enhancing the statistical power of the approach, and addressing the challenge of unsteady sedimentation. Meyers, S. R. (2015), The evaluation of eccentricity

  10. Optimal Power and Efficiency of Quantum Thermoacoustic Micro-cycle Working in 1D Harmonic Trap

    NASA Astrophysics Data System (ADS)

    E, Qing; Wu, Feng; Yin, Yong; Liu, XiaoWei

    2017-10-01

    Thermoacoustic engines (including heat engines and refrigerators) are energy conversion devices without moving part. They have great potential in aviation, new energy utilization, power technology, refrigerating and cryogenics. The thermoacoustic parcels, which compose the working fluid of a thermoacoustic engine, oscillate within the sound channel with a temperature gradient. The thermodynamic foundation of a thermoacoustic engine is the thermoacoustic micro-cycle (TAMC). In this paper, the theory of quantum mechanics is applied to the study of the actual thermoacoustic micro-cycle for the first time. A quantum mechanics model of the TAMC working in a 1D harmonic trap, which is named as a quantum thermoacoustic micro-cycle (QTAMC), is established. The QTAMC is composed of two constant force processes connected by two straight line processes. Analytic expressions of the power output and the efficiency for QTAMC have been derived. The effects of the trap width and the temperature amplitude on the power output and the thermal efficiency have been discussed. Some optimal characteristic curves of power output versus efficiency are plotted, and then the optimization region of QTAMC is given in this paper. The results obtained here not only enrich the thermoacoustic theory but also expand the application of quantum thermodynamics.

  11. Optimal Power and Efficiency of Quantum Thermoacoustic Micro-cycle Working in 1D Harmonic Trap

    NASA Astrophysics Data System (ADS)

    E, Qing; Wu, Feng; Yin, Yong; Liu, XiaoWei

    2017-07-01

    Thermoacoustic engines (including heat engines and refrigerators) are energy conversion devices without moving part. They have great potential in aviation, new energy utilization, power technology, refrigerating and cryogenics. The thermoacoustic parcels, which compose the working fluid of a thermoacoustic engine, oscillate within the sound channel with a temperature gradient. The thermodynamic foundation of a thermoacoustic engine is the thermoacoustic micro-cycle (TAMC). In this paper, the theory of quantum mechanics is applied to the study of the actual thermoacoustic micro-cycle for the first time. A quantum mechanics model of the TAMC working in a 1D harmonic trap, which is named as a quantum thermoacoustic micro-cycle (QTAMC), is established. The QTAMC is composed of two constant force processes connected by two straight line processes. Analytic expressions of the power output and the efficiency for QTAMC have been derived. The effects of the trap width and the temperature amplitude on the power output and the thermal efficiency have been discussed. Some optimal characteristic curves of power output versus efficiency are plotted, and then the optimization region of QTAMC is given in this paper. The results obtained here not only enrich the thermoacoustic theory but also expand the application of quantum thermodynamics.

  12. Genes adopt non-optimal codon usage to generate cell cycle-dependent oscillations in protein levels

    PubMed Central

    Frenkel-Morgenstern, Milana; Danon, Tamar; Christian, Thomas; Igarashi, Takao; Cohen, Lydia; Hou, Ya-Ming; Jensen, Lars Juhl

    2012-01-01

    The cell cycle is a temporal program that regulates DNA synthesis and cell division. When we compared the codon usage of cell cycle-regulated genes with that of other genes, we discovered that there is a significant preference for non-optimal codons. Moreover, genes encoding proteins that cycle at the protein level exhibit non-optimal codon preferences. Remarkably, cell cycle-regulated genes expressed in different phases display different codon preferences. Here, we show empirically that transfer RNA (tRNA) expression is indeed highest in the G2 phase of the cell cycle, consistent with the non-optimal codon usage of genes expressed at this time, and lowest toward the end of G1, reflecting the optimal codon usage of G1 genes. Accordingly, protein levels of human glycyl-, threonyl-, and glutamyl-prolyl tRNA synthetases were found to oscillate, peaking in G2/M phase. In light of our findings, we propose that non-optimal (wobbly) matching codons influence protein synthesis during the cell cycle. We describe a new mathematical model that shows how codon usage can give rise to cell-cycle regulation. In summary, our data indicate that cells exploit wobbling to generate cell cycle-dependent dynamics of proteins. PMID:22373820

  13. Adjusted light and dark cycles can optimize photosynthetic efficiency in algae growing in photobioreactors.

    PubMed

    Sforza, Eleonora; Simionato, Diana; Giacometti, Giorgio Mario; Bertucco, Alberto; Morosinotto, Tomas

    2012-01-01

    Biofuels from algae are highly interesting as renewable energy sources to replace, at least partially, fossil fuels, but great research efforts are still needed to optimize growth parameters to develop competitive large-scale cultivation systems. One factor with a seminal influence on productivity is light availability. Light energy fully supports algal growth, but it leads to oxidative stress if illumination is in excess. In this work, the influence of light intensity on the growth and lipid productivity of Nannochloropsis salina was investigated in a flat-bed photobioreactor designed to minimize cells self-shading. The influence of various light intensities was studied with both continuous illumination and alternation of light and dark cycles at various frequencies, which mimic illumination variations in a photobioreactor due to mixing. Results show that Nannochloropsis can efficiently exploit even very intense light, provided that dark cycles occur to allow for re-oxidation of the electron transporters of the photosynthetic apparatus. If alternation of light and dark is not optimal, algae undergo radiation damage and photosynthetic productivity is greatly reduced. Our results demonstrate that, in a photobioreactor for the cultivation of algae, optimizing mixing is essential in order to ensure that the algae exploit light energy efficiently.

  14. Adjusted Light and Dark Cycles Can Optimize Photosynthetic Efficiency in Algae Growing in Photobioreactors

    PubMed Central

    Sforza, Eleonora; Simionato, Diana; Giacometti, Giorgio Mario; Bertucco, Alberto; Morosinotto, Tomas

    2012-01-01

    Biofuels from algae are highly interesting as renewable energy sources to replace, at least partially, fossil fuels, but great research efforts are still needed to optimize growth parameters to develop competitive large-scale cultivation systems. One factor with a seminal influence on productivity is light availability. Light energy fully supports algal growth, but it leads to oxidative stress if illumination is in excess. In this work, the influence of light intensity on the growth and lipid productivity of Nannochloropsis salina was investigated in a flat-bed photobioreactor designed to minimize cells self-shading. The influence of various light intensities was studied with both continuous illumination and alternation of light and dark cycles at various frequencies, which mimic illumination variations in a photobioreactor due to mixing. Results show that Nannochloropsis can efficiently exploit even very intense light, provided that dark cycles occur to allow for re-oxidation of the electron transporters of the photosynthetic apparatus. If alternation of light and dark is not optimal, algae undergo radiation damage and photosynthetic productivity is greatly reduced. Our results demonstrate that, in a photobioreactor for the cultivation of algae, optimizing mixing is essential in order to ensure that the algae exploit light energy efficiently. PMID:22745696

  15. Optimization of a NH4PF6-enhanced, non-organic solvent, dual microextraction method for determination of phthalate metabolites in urine by high performance liquid chromatography.

    PubMed

    Wu, Jia; Ye, Zhihan; Li, Xiaolong; Wang, Xuedong; Luo, Fangjun; Sheng, Bo; Li, Yiwei; Lyu, Jianxin

    2016-03-01

    In conventional ionic liquid-based dispersive liquid-liquid microextraction (IL-DLLME) procedures, most of the IL disperser remains in the aqueous phase resulting in low recovery for moderately and weakly polar analytes due to the "carry-over effect". Herein, we successfully developed a "NH4PF6-enhanced, non-organic solvent, dual microextraction" method (ANSDM) for pretreatment of phthalate (PAE) metabolites with weak to moderate polarity. This method utilized in situ reaction of NH4PF6 as an ion-exchange reagent and disperser to realize two microextractions after using [C8MIM]PF6 as an extraction solvent and [C4MIM]BF4 as a disperser for conventional DLLME. Single-factor experiments, a two-level full factorial experimental design and central composite design were applied for optimizing operational parameters using 3D response surfaces and contour lines. Under optimized conditions, the newly developed method provided high extraction recoveries (93.8-99.1%) and low LODs (ca. 0.3μgL(-1)) for three phthalate metabolites in human urine. The primary advantages of the ANSDM method include: (1) integration of in situ reaction and conventional DLLME techniques to effectively extract both weak and moderately polar pollutants simultaneously; (2) non-organic solvent use in the microextraction procedure making the process safer and more environmental friendly; and (3) a time-saving, simple operation that is fully compatibility with HPLC analysis. To the best of our knowledge, our group is the first to develop the "non-organic solvent, dual microextraction" method and it has great potential as a sample pre-treatment technique for organic pollutants with weak to moderate polarity in biological and environmental matrices. Copyright © 2016. Published by Elsevier B.V.

  16. Thermodynamic analysis and optimization of fuel cell based Combined Cycle Cogeneration plant

    NASA Astrophysics Data System (ADS)

    Odukoya, Adedoyin

    Power plants operating in combined cycle cogeneration configuration are becoming increasingly popular because of high energy conversion efficiency and reduced pollutant and green-house gas emissions. On the other hand, fuel cell technology continues to be of global interest because it can operate with very low to 0% green-house gas emission depending on the fuel. The aim of the present work is to investigate the effect of co-firing of natural gas with synthetic gas generated from coal gasification on the thermodynamic performance of an air blown coal gasification Combined Cycle Cogeneration unit with a solid oxide fuel cell (SOFC) arrangement. The effects of the operating temperature of the SOFC and the pressure ratio and turbine inlet temperature of the gas turbine on the net work output and efficiency of the power cycles on the cogeneration unit are simulated. Simulations are also conducted on the thermal and cogeneration efficiencies of the individual power cycle as well as the overall plants respectively. The optimal pressure ratio, temperature of operation of the SOFC and, gas turbine inlet temperature was determined using a sequential quadratic program solver base on the Quasi-Newton algorithm.

  17. Multiparticle quantum Szilard engine with optimal cycles assisted by a Maxwell's demon.

    PubMed

    Cai, C Y; Dong, H; Sun, C P

    2012-03-01

    We present a complete-quantum description of a multiparticle Szilard engine that consists of a working substance and a Maxwell's demon. The demon is modeled as a multilevel quantum system with specific quantum control, and the working substance consists of identical particles obeying Bose-Einstein or Fermi-Dirac statistics. In this description, a reversible scheme to erase the demon's memory by a lower-temperature heat bath is used. We demonstrate that (1) the quantum control of the demon can be optimized for a single-particle Szilard engine so that the efficiency of the demon-assisted thermodynamic cycle could reach the Carnot cycle's efficiency and (2) the low-temperature behavior of the working substance is very sensitive to the quantum statistics of the particles and the insertion position of the partition.

  18. Multiparticle quantum Szilard engine with optimal cycles assisted by a Maxwell's demon

    NASA Astrophysics Data System (ADS)

    Cai, C. Y.; Dong, H.; Sun, C. P.

    2012-03-01

    We present a complete-quantum description of a multiparticle Szilard engine that consists of a working substance and a Maxwell's demon. The demon is modeled as a multilevel quantum system with specific quantum control, and the working substance consists of identical particles obeying Bose-Einstein or Fermi-Dirac statistics. In this description, a reversible scheme to erase the demon's memory by a lower-temperature heat bath is used. We demonstrate that (1) the quantum control of the demon can be optimized for a single-particle Szilard engine so that the efficiency of the demon-assisted thermodynamic cycle could reach the Carnot cycle's efficiency and (2) the low-temperature behavior of the working substance is very sensitive to the quantum statistics of the particles and the insertion position of the partition.

  19. How Family Status and Social Security Claiming Options Shape Optimal Life Cycle Portfolios.

    PubMed

    Hubener, Andreas; Maurer, Raimond; Mitchell, Olivia S

    2016-04-01

    We show how optimal household decisions regarding work, retirement, saving, portfolio allocations, and life insurance are shaped by the complex financial options embedded in U.S. Social Security rules and uncertain family transitions. Our life cycle model predicts sharp consumption drops on retirement, an age-62 peak in claiming rates, and earlier claiming by wives versus husbands and single women. Moreover, life insurance is mainly purchased on men's lives. Our model, which takes Social Security rules seriously, generates wealth and retirement outcomes that are more consistent with the data, in contrast to earlier and less realistic models.

  20. How Family Status and Social Security Claiming Options Shape Optimal Life Cycle Portfolios

    PubMed Central

    Hubener, Andreas; Maurer, Raimond; Mitchell, Olivia S.

    2017-01-01

    We show how optimal household decisions regarding work, retirement, saving, portfolio allocations, and life insurance are shaped by the complex financial options embedded in U.S. Social Security rules and uncertain family transitions. Our life cycle model predicts sharp consumption drops on retirement, an age-62 peak in claiming rates, and earlier claiming by wives versus husbands and single women. Moreover, life insurance is mainly purchased on men’s lives. Our model, which takes Social Security rules seriously, generates wealth and retirement outcomes that are more consistent with the data, in contrast to earlier and less realistic models. PMID:28659659

  1. Subcritical solvent extraction of anthocyanins from dried red grape pomace.

    PubMed

    Monrad, Jeana K; Howard, Luke R; King, Jerry W; Srinivas, Keerthi; Mauromoustakos, Andy

    2010-03-10

    Accelerated solvent extraction (ASE) was used to optimize and determine the effectiveness of an alternative, environmentally friendly extraction procedure using subcritical solvents to recover anthocyanins from freeze-dried, ground Sunbelt red grape pomace. Anthocyanins were extracted from pomace using the following ASE variables: pressure (6.8 MPa), one extraction cycle, and temperature (40, 60, 80, 100, 120, and 140 degrees C). Conventional solvent extraction with methanol/water/formic acid (60:37:3 v/v/v) was compared to four hydroethanolic solvents (10, 30, 50, and 70% ethanol in water, v/v). Anthocyanins in the extracts were identified and quantified by HPLC-MS and HPLC. There was an insignificant interaction between solvent and temperature (p = 0.0663). Solvents containing 70 and 50% ethanol in water extracted more total anthocyanins (463 and 455 mg/100 g of DW, respectively) than other solvents. The total amounts of anthocyanins extracted at 100 degrees C (450 mg/100 g of DW), 80 degrees C (436 mg/100 g of DW), and 120 degrees C (411 mg/100 g of DW) were higher than at the other temperatures. Solvents containing 70 and 50% ethanol in water extracted similar amounts of anthocyanins as conventional extraction solvent.

  2. Life cycle analysis within pharmaceutical process optimization and intensification: case study of active pharmaceutical ingredient production.

    PubMed

    Ott, Denise; Kralisch, Dana; Denčić, Ivana; Hessel, Volker; Laribi, Yosra; Perrichon, Philippe D; Berguerand, Charline; Kiwi-Minsker, Lioubov; Loeb, Patrick

    2014-12-01

    As the demand for new drugs is rising, the pharmaceutical industry faces the quest of shortening development time, and thus, reducing the time to market. Environmental aspects typically still play a minor role within the early phase of process development. Nevertheless, it is highly promising to rethink, redesign, and optimize process strategies as early as possible in active pharmaceutical ingredient (API) process development, rather than later at the stage of already established processes. The study presented herein deals with a holistic life-cycle-based process optimization and intensification of a pharmaceutical production process targeting a low-volume, high-value API. Striving for process intensification by transfer from batch to continuous processing, as well as an alternative catalytic system, different process options are evaluated with regard to their environmental impact to identify bottlenecks and improvement potentials for further process development activities. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Enzymatically catalyzed synthesis of anti-blooming agent 1,3-dibehenoyl-2-oleoyl glycerol in a solvent-free system: optimization by response surface methodology.

    PubMed

    Meng, Zong; Geng, Wen-Xin; Li, Jin-Wei; Yang, Zhao-Qi; Jiang, Jiang; Wang, Xing-Guo; Liu, Yuan-Fa

    2013-11-13

    Products rich in 1,3-dibehenoyl-2-oleoyl glycerol (BOB) triglyceride (TAG) were produced by enzymatic interesterification of high oleic acid sunflower oil (HOSO) and behenic acid methyl ester (BME) by 1,3-regiospecific lipase Lipozyme RM IM in a solvent-free system. The impact factors of enzyme load, substrate molar ratio of BME to HOSO (BME/HOSO), reaction time, reaction temperature, and pre-equilibration water activity of the enzyme on BOB content and BME conversions were investigated by single-factor experiments and then optimized using the response surface methodology (RSM). The optimum conditions were as follows: reaction temperature, 72 °C; reaction time, 7.99 h; substrate molar ratio, 2.5:1; enzyme load, 10%; and pre-equilibration water activities of the enzyme, 0.28. The results from the experiments conducted according to the predicted optimal conditions were as follows: the content of BOB was 32.76%, and the conversion of BME was 65.16%. The experimental values agreed with the predicted values, which verified the sufficiency of the quadratic regression models. After purification under the optimal short-range molecular distillation and two-step solvent fractionation, the content of BOB in the target product can reach 77.14%, indicating the great potential for industrial production of the anti-blooming agent.

  4. Dose Finding of Small-Molecule Oncology Drugs: Optimization throughout the Development Life Cycle.

    PubMed

    Jänne, Pasi A; Kim, Geoffrey; Shaw, Alice T; Sridhara, Rajeshwari; Pazdur, Richard; McKee, Amy E

    2016-06-01

    In the current era of rapid marketing approval for promising new products in oncology, dose finding and optimization for small-molecule oncology drugs occurs throughout the development cycle and into the postmarketing setting. Many trials that support a regulatory application have high rates of dose reductions and discontinuations, which may result in postmarketing requirements (PMR) to study alternate doses or dosing schedules. Kinase inhibitors particularly have been susceptible to this problem, and among the 31 approved drugs of this class, the approvals of eight have included such PMRs and/or commitments. Thus, the current paradigm for dose finding and optimization could be improved. Newer strategies for dose finding rather than traditional 3 + 3 designs should be considered where feasible, and dose optimization should be continued after phase I and throughout development. Such strategies will increase the likelihood of a right dose for the right drug at the time of regulatory approval. Clin Cancer Res; 22(11); 2613-7. ©2016 AACR SEE ALL ARTICLES IN THIS CCR FOCUS SECTION, "NEW APPROACHES FOR OPTIMIZING DOSING OF ANTICANCER AGENTS".

  5. Periodic Application of Stochastic Cost Optimization Methodology to Achieve Remediation Objectives with Minimized Life Cycle Cost

    NASA Astrophysics Data System (ADS)

    Kim, U.; Parker, J.

    2016-12-01

    Many dense non-aqueous phase liquid (DNAPL) contaminated sites in the U.S. are reported as "remediation in progress" (RIP). However, the cost to complete (CTC) remediation at these sites is highly uncertain and in many cases, the current remediation plan may need to be modified or replaced to achieve remediation objectives. This study evaluates the effectiveness of iterative stochastic cost optimization that incorporates new field data for periodic parameter recalibration to incrementally reduce prediction uncertainty and implement remediation design modifications as needed to minimize the life cycle cost (i.e., CTC). This systematic approach, using the Stochastic Cost Optimization Toolkit (SCOToolkit), enables early identification and correction of problems to stay on track for completion while minimizing the expected (i.e., probability-weighted average) CTC. This study considers a hypothetical site involving multiple DNAPL sources in an unconfined aquifer using thermal treatment for source reduction and electron donor injection for dissolved plume control. The initial design is based on stochastic optimization using model parameters and their joint uncertainty based on calibration to site characterization data. The model is periodically recalibrated using new monitoring data and performance data for the operating remediation systems. Projected future performance using the current remediation plan is assessed and reoptimization of operational variables for the current system or consideration of alternative designs are considered depending on the assessment results. We compare remediation duration and cost for the stepwise re-optimization approach with single stage optimization as well as with a non-optimized design based on typical engineering practice.

  6. Production of Alkaline Protease by Solvent-Tolerant Alkaliphilic Bacillus circulans MTCC 7942 Isolated from Hydrocarbon Contaminated Habitat: Process Parameters Optimization

    PubMed Central

    Patil, Ulhas; Chaudhari, Ambalal

    2013-01-01

    In the present investigation, a newly isolated organic solvent-tolerant and alkaliphilic bacterial strain was reported from a hydrocarbon (gasoline and diesel) contaminated soil collected from the petrol station, Shirpur (India). The strain was identified as Bacillus circulans MTCC 7942, based on phenotype, biochemical, and phylogenetic analysis of 16S rRNA gene sequence. The capability of Bacillus circulans to secrete an extracellular, thermostable, alkaline protease and grow in the presence of organic solvents was explored. Bacillus circulans produced maximum alkaline protease (412 U/mL) in optimized medium (g/L): soybean meal, 15; starch, 10; KH2PO4, 1; MgSO4·7H2O, 0.05; CaCl2, 1; Na2CO3, 8; pH 10.0 at 37°C and 100 rpm. The competence of strain to grow in various organic solvents—n-octane, dodecane, n-decane, N,N-dimethylformamide, n-hexane, and dimethyl sulfoxide, establishes its potential as solvent-stable protease source for the possible applications in nonaqueous reactions and fine chemical synthesis. PMID:25937965

  7. Integrating Hybrid Life Cycle Assessment with Multiobjective Optimization: A Modeling Framework.

    PubMed

    Yue, Dajun; Pandya, Shyama; You, Fengqi

    2016-02-02

    By combining life cycle assessment (LCA) with multiobjective optimization (MOO), the life cycle optimization (LCO) framework holds the promise not only to evaluate the environmental impacts for a given product but also to compare different alternatives and identify both ecologically and economically better decisions. Despite the recent methodological developments in LCA, most LCO applications are developed upon process-based LCA, which results in system boundary truncation and underestimation of the true impact. In this study, we propose a comprehensive LCO framework that seamlessly integrates MOO with integrated hybrid LCA. It quantifies both direct and indirect environmental impacts and incorporates them into the decision making process in addition to the more traditional economic criteria. The proposed LCO framework is demonstrated through an application on sustainable design of a potential bioethanol supply chain in the UK. Results indicate that the proposed hybrid LCO framework identifies a considerable amount of indirect greenhouse gas emissions (up to 58.4%) that are essentially ignored in process-based LCO. Among the biomass feedstock options considered, using woody biomass for bioethanol production would be the most preferable choice from a climate perspective, while the mixed use of wheat and wheat straw as feedstocks would be the most cost-effective one.

  8. Evaluation of Externality Costs in Life-Cycle Optimization of Municipal Solid Waste Management Systems.

    PubMed

    Martinez-Sanchez, Veronica; Levis, James W; Damgaard, Anders; DeCarolis, Joseph F; Barlaz, Morton A; Astrup, Thomas F

    2017-03-21

    The development of sustainable solid waste management (SWM) systems requires consideration of both economic and environmental impacts. Societal life-cycle costing (S-LCC) provides a quantitative framework to estimate both economic and environmental impacts, by including "budget costs" and "externality costs". Budget costs include market goods and services (economic impact), whereas externality costs include effects outside the economic system (e.g., environmental impact). This study demonstrates the applicability of S-LCC to SWM life-cycle optimization through a case study based on an average suburban U.S. county of 500 000 people generating 320 000 Mg of waste annually. Estimated externality costs are based on emissions of CO2, CH4, N2O, PM2.5, PM10, NOx, SO2, VOC, CO, NH3, Hg, Pb, Cd, Cr (VI), Ni, As, and dioxins. The results indicate that incorporating S-LCC into optimized SWM strategy development encourages the use of a mixed waste material recovery facility with residues going to incineration, and separated organics to anaerobic digestion. Results are sensitive to waste composition, energy mix and recycling rates. Most of the externality costs stem from SO2, NOx, PM2.5, CH4, fossil CO2, and NH3 emissions. S-LCC proved to be a valuable tool for policy analysis, but additional data on key externality costs such as organic compounds emissions to water would improve future analyses.

  9. Optimization of monitoring and inspections in the life-cycle of wind turbines

    NASA Astrophysics Data System (ADS)

    Hanish Nithin, Anu; Omenzetter, Piotr

    2016-04-01

    The past decade has witnessed a surge in the offshore wind farm developments across the world. Although this form of cleaner and greener energy is beneficial and eco-friendly, the production of wind energy entails high life-cycle costs. The costs associated with inspections, monitoring and repairs of wind turbines are primary contributors to the high costs of electricity produced in this way and are disadvantageous in today's competitive economic environment. There is limited research being done in the probabilistic optimization of life-cycle costs of offshore wind turbines structures and their components. This paper proposes a framework for assessing the life cycle cost of wind turbine structures subject to damage and deterioration. The objective of the paper is to develop a mathematical probabilistic cost assessment framework which considers deterioration, inspection, monitoring, repair and maintenance models and their uncertainties. The uncertainties are etched in the accuracy and precision of the monitoring and inspection methods and can be considered through the probability of damage detection of each method. Schedules for inspection, monitoring and repair actions are demonstrated using a decision tree. Examples of a generalised deterioration process integrated with the cost analysis using a decision tree are shown for a wind turbine foundation structure.

  10. A Multi-Cycle Q-Modulation for Dynamic Optimization of Inductive Links.

    PubMed

    Lee, Byunghun; Yeon, Pyungwoo; Ghovanloo, Maysam

    2016-08-01

    This paper presents a new method, called multi-cycle Q-modulation, which can be used in wireless power transmission (WPT) to modulate the quality factor (Q) of the receiver (Rx) coil and dynamically optimize the load impedance to maximize the power transfer efficiency (PTE) in two-coil links. A key advantage of the proposed method is that it can be easily implemented using off-the-shelf components without requiring fast switching at or above the carrier frequency, which is more suitable for integrated circuit design. Moreover, the proposed technique does not need any sophisticated synchronization between the power carrier and Q-modulation switching pulses. The multi-cycle Q-modulation is analyzed theoretically by a lumped circuit model, and verified in simulation and measurement using an off-the-shelf prototype. Automatic resonance tuning (ART) in the Rx, combined with multi-cycle Q-modulation helped maximizing PTE of the inductive link dynamically in the presence of environmental and loading variations, which can otherwise significantly degrade the PTE in multi-coil settings. In the prototype conventional 2-coil link, the proposed method increased the power amplifier (PA) plus inductive link efficiency from 4.8% to 16.5% at (RL = 1 kΩ, d23 = 3 cm), and from 23% to 28.2% at (RL = 100 Ω, d23 = 3 cm) after 11% change in the resonance capacitance, while delivering 168.1 mW to the load (PDL).

  11. The optimal design of buildings: A life-cycle approach to energy efficiency

    NASA Astrophysics Data System (ADS)

    El-Khawas, Ihab Nabil

    This study reports on an energy model designed to minimize the life cycle cost of a building, considering both the building initial cost and its energy consumption. It reports on the structure of this model and a series of experiments conducted to derive optimal design. While there already exist models that analyze the energy consumption and efficiency of buildings, the general model presented here is unique in several ways. First, it addresses the needs of the typical architect who requires rapid technical feedback on the energy efficiency of a building during the initial design process. Second, it considers the trade-off between initial development costs and future operating costs. Different from most models therefore, it does not simply minimizes energy consumption, but takes into account the cost incurred as a result of any method to save energy. Third, it is an optimization model which derives design optima through numerical optimization methods rather than trial and error. However, it can still be used to develop design ideas outside the model optimization scope. Fourth, the model optimizes a number of design features of interest to the architect, including building orientation, dimensions, window placement and size, and choice of building material. Most other models appear to take these features as inputs. Rules of thumb and traditional design guidelines were also investigated through the analysis of a large number of model experiments, with different objective functions and constraint sets. The aim was to simulate a number of real life design alternatives and economic goals. The findings show that the cost of sub-optimal building dimensions and orientation may vary significantly under different user constraints. Generalizations are possible, but must be used with caution. One major finding of this study is that following rules of thumb and traditional guidelines will not always lead to an optimal design. In fact, the study proves that design variables, such

  12. Energy and exergy analyses of an integrated gasification combined cycle power plant with CO2 capture using hot potassium carbonate solvent.

    PubMed

    Li, Sheng; Jin, Hongguang; Gao, Lin; Mumford, Kathryn Anne; Smith, Kathryn; Stevens, Geoff

    2014-12-16

    Energy and exergy analyses were studied for an integrated gasification combined cycle (IGCC) power plant with CO2 capture using hot potassium carbonate solvent. The study focused on the combined impact of the CO conversion ratio in the water gas shift (WGS) unit and CO2 recovery rate on component exergy destruction, plant efficiency, and energy penalty for CO2 capture. A theoretical limit for the minimal efficiency penalty for CO2 capture was also provided. It was found that total plant exergy destruction increased almost linearly with CO2 recovery rate and CO conversion ratio at low CO conversion ratios, but the exergy destruction from the WGS unit and the whole plant increased sharply when the CO conversion ratio was higher than 98.5% at the design WGS conditions, leading to a significant decrease in plant efficiency and increase in efficiency penalty for CO2 capture. When carbon capture rate was over around 70%, via a combination of around 100% CO2 recovery rate and lower CO conversion ratios, the efficiency penalty for CO2 capture was reduced. The minimal efficiency penalty for CO2 capture was estimated to be around 5.0 percentage points at design conditions in an IGCC plant with 90% carbon capture. Unlike the traditional aim of 100% CO conversion, it was recommended that extremely high CO conversion ratios should not be considered in order to decrease the energy penalty for CO2 capture and increase plant efficiency.

  13. [Multi-objectives optimization on life cycle pollutants emission of cassava-based ethanol blended gasoline fuels].

    PubMed

    Pu, Geng-qiang; Hu, Zhi-yuan; Wang, Cheng-tao

    2004-09-01

    An optimization model on life cycle pollutants emission of cassava-based ethanol blended gasoline fuels, including single and multi-objectives, was carried out in this paper. And, the single and multi-objectives optimization of cassava-based ethanol blended gasoline fuels were done, using the life cycle CO, NOx, PM, HC, SOx, CO2 emissions as objectives. Moreover, sensitivity analysis of design variables was done. The multi-objectives results shown that the blend ratio between cassava-based ethanol and gasoline was 63%. Compare with the initial value, multi-objective optimization of cassava-based ethanol blended gasoline fuels achieved a little more life cycle CO, NOx and PM emissions, about 1%, 15% and 19% respectively, and reduced life cycle HC, SOx and CO2 emissions, 8%, 50%, and 21% respectively.

  14. Vibrational spectra of cysteine zwitterion and mechanism of its formation: bulk and specific solvent effects and geometry optimization in aqueous media.

    PubMed

    Tiwari, Saumya; Mishra, P C

    2009-08-15

    Vibrational spectrum of the zwitterionic (Z)-forms of cysteine has been studied considering full geometry optimization under the bulk solvent effect of aqueous media combined with the solvent effect of up to three specific water molecules. The tautomerization barrier energy of the molecule from its normal (N) to the Z form has also been obtained. Geometry optimization was performed at the B3LYP/AUG-cc-pVDZ level which was followed by single point energy calculations at the MP2/AUG-cc-pVDZ level of theory in both gas phase and aqueous media. Transition states (TS) were located between the N and Z-forms of cysteine complexed with one to three water molecules and also without any complexed water molecule. The bulk solvent effect of aqueous media was treated using the integral equation formalism of the polarizable continuum model (IEF-PCM). It has been found that the barrier energy decreases with the increasing number of complexed water molecules significantly. Two conformers (A, B) of Z-cysteine are found to have comparable stabilities. It is shown that agreement between the experimentally observed and our calculated vibrational frequencies for Z-cysteine, at the present level of treatment, is improved significantly for 22 out of 27 frequencies. For these 22 frequencies, for the more stable conformer (A) of Z-cysteine, the rms value of differences between our calculated and experimentally observed frequencies reduces from 22 to 11 cm(-1) in going from 0 to 3 complexed water molecules. Certain vibrational frequencies have been identified with the help of which the conformers A and B of Z cysteine can be identified.

  15. DFTr optimization and DFTr-MD studies of glucose, ten explicit water molecules enclosed by an implicit solvent, COSMO

    USDA-ARS?s Scientific Manuscript database

    DFTr optimization studies are carried out on alpha/beta-glucose surrounded by ten explicit water molecules and the glucose/water super-molecule completely enclosed by an implicit solvation model, COSMO. Twenty one starting configurations of the explicit waters were first optimized empirically with t...

  16. iCycle: Integrated, multicriterial beam angle, and profile optimization for generation of coplanar and noncoplanar IMRT plans

    SciTech Connect

    Breedveld, Sebastiaan; Storchi, Pascal R. M.; Voet, Peter W. J.; Heijmen, Ben J. M.

    2012-02-15

    Purpose: To introduce iCycle, a novel algorithm for integrated, multicriterial optimization of beam angles, and intensity modulated radiotherapy (IMRT) profiles. Methods: A multicriterial plan optimization with iCycle is based on a prescription called wish-list, containing hard constraints and objectives with ascribed priorities. Priorities are ordinal parameters used for relative importance ranking of the objectives. The higher an objective priority is, the higher the probability that the corresponding objective will be met. Beam directions are selected from an input set of candidate directions. Input sets can be restricted, e.g., to allow only generation of coplanar plans, or to avoid collisions between patient/couch and the gantry in a noncoplanar setup. Obtaining clinically feasible calculation times was an important design criterium for development of iCycle. This could be realized by sequentially adding beams to the treatment plan in an iterative procedure. Each iteration loop starts with selection of the optimal direction to be added. Then, a Pareto-optimal IMRT plan is generated for the (fixed) beam setup that includes all so far selected directions, using a previously published algorithm for multicriterial optimization of fluence profiles for a fixed beam arrangement Breedveld et al.[Phys. Med. Biol. 54, 7199-7209 (2009)]. To select the next direction, each not yet selected candidate direction is temporarily added to the plan and an optimization problem, derived from the Lagrangian obtained from the just performed optimization for establishing the Pareto-optimal plan, is solved. For each patient, a single one-beam, two-beam, three-beam, etc. Pareto-optimal plan is generated until addition of beams does no longer result in significant plan quality improvement. Plan generation with iCycle is fully automated. Results: Performance and characteristics of iCycle are demonstrated by generating plans for a maxillary sinus case, a cervical cancer patient, and a

  17. Development and Utilization of mathematical Optimization in Advanced Fuel Cycle Systems Analysis

    SciTech Connect

    Turinsky, Paul; Hays, Ross

    2011-09-02

    Over the past sixty years, a wide variety of nuclear power technologies have been theorized, investigated and tested to various degrees. These technologies, if properly applied, could provide a stable, long-term, economical source of CO2-free electric power. However, the recycling of nuclear fuel introduces a degree of coupling between reactor systems which must be accounted for when making long term strategic plans. This work investigates the use of a simulated annealing optimization algorithm coupled together with the VISION fuel cycle simulation model in order to identify attractive strategies from economic, evironmental, non-proliferation and waste-disposal perspectives, which each have associated an objective function. The simulated annealing optimization algorithm works by perturbing the fraction of new reactor capacity allocated to each available reactor type (using a set of heuristic rules) then evaluating the resulting deployment scenario outcomes using the VISION model and the chosen objective functions. These new scenarios, which are either accepted or rejected according the the Metropolis Criterion, are then used as the basis for further perturbations. By repeating this process several thousand times, a family of near-optimal solutions are obtained. Preliminary results from this work using a two-step, Once-through LWR to Full-recycle/FRburner deployment scenario with exponentially increasing electric demand indicate that the algorithm is capable of nding reactor deployment pro les that reduce the long-term-heat waste disposal burden relative to an initial reference scenario. Further work is under way to re ne the current results and to extend them to include the other objective functions and to examine the optimization trade-o s that exist between these di erent objectives.

  18. Optimized versus corrected peak power during friction-braked cycle ergometry in males and females.

    PubMed

    James, David V B; Wood, Dan M; Maberly, Tom C B; De Ste Croix, Mark

    2007-06-01

    The aim of this study was to compare optimization and correction procedures for the determination of peak power output during friction-loaded cycle ergometry. Ten male and 10 female sports students each performed five 10-s sprints from a stationary start on a Monark 864 basket-loaded ergometer. Resistive loads of 5.0, 6.5, 8.0, 9.5, and 11.0% body weight were administered in a counterbalanced order, with a recovery period of 10 min between sprints. Peak power was greater and occurred earlier, with less work having been done before the attainment of peak power, when the data were corrected to account for the inertial and frictional characteristics of the ergometer. Corrected peak power was independent of resistive load (P > 0.05), whereas uncorrected peak power varied as a quadratic function of load (P < 0.001). For males and females, optimized peak power (971 +/- 122 and 668 +/- 37 W) was lower (P < 0.01) than either the highest (1074 +/- 111 and 754 +/- 56 W respectively) or the mean (1007 +/- 125 and 701 +/- 45 W respectively) of the five values for corrected peak power. Optimized and mean corrected peak power were highly correlated both in males (r = 0.97, P < 0.001) and females (r = 0.96, P < 0.001). The difference between optimized and mean corrected peak power was 37 +/- 30 W in males and 33 +/- 14 W in females, of which approximately 15 W was due to the correction for frictional losses. We conclude that corrected peak power is independent of resistive load in males and females.

  19. Enhanced low-temperature NH3-SCR performance of MnOx/CeO2 catalysts by optimal solvent effect

    NASA Astrophysics Data System (ADS)

    Yao, Xiaojiang; Kong, Tingting; Chen, Li; Ding, Shimin; Yang, Fumo; Dong, Lin

    2017-10-01

    A series of MnOx/CeO2 catalysts were prepared by modulating the solvents (deionized water (DW), anhydrous ethanol (AE), acetic acid (AA), and oxalic acid (OA) solution) with the purpose of improving the low-temperature NH3-SCR performance, broadening the operating temperature window, and enhancing the H2O + SO2 resistance. The synthesized catalysts were characterized by means of N2-physisorption, XRD, EDS mapping, Raman, XPS, H2-TPR, NH3-TPD, and in situ DRIFTS technologies. Furthermore, the catalytic performance and H2O + SO2 resistance were evaluated by NH3-SCR model reaction. The obtained results indicate that MnOx/CeO2 catalyst prepared with oxalic acid solution as a solvent exhibits the best catalytic performance among these catalysts, which shows above 80% NO conversion during a wide operating temperature range of 100-250 °C and good H2O + SO2 resistance for low-temperature NH3-SCR reaction. This is related to that oxalic acid solution can promote the dispersion of MnOx and enhance the electron interaction between MnOx and CeO2, which are beneficial to improving the physicochemical property of MnOx/CeO2 catalyst, and further lead to the enhancement of catalytic performance and good H2O + SO2 resistance.

  20. Lithium Cycling in Polymethoxymethane Solvents.

    DTIC Science & Technology

    1982-06-01

    of activated alumina (Woelm N-Super 1) and the first 10% discarded. Where applicable, pre- electrolyses were done by passing a cur- rent (1 mA/cm2...TMM. The conductivities were determined in conductivity cells with cell constants determined using aqueous KCl. An AC conductivity bridge (YSI Model 31...atmosphere in a Vacuum- Atmospheres Corporation dry box equipped with a Model HE-493 Dri-Train. Results Conductivity of Electrolytes. In order to minimize

  1. Life cycle cost optimization of biofuel supply chains under uncertainties based on interval linear programming.

    PubMed

    Ren, Jingzheng; Dong, Liang; Sun, Lu; Goodsite, Michael Evan; Tan, Shiyu; Dong, Lichun

    2015-01-01

    The aim of this work was to develop a model for optimizing the life cycle cost of biofuel supply chain under uncertainties. Multiple agriculture zones, multiple transportation modes for the transport of grain and biofuel, multiple biofuel plants, and multiple market centers were considered in this model, and the price of the resources, the yield of grain and the market demands were regarded as interval numbers instead of constants. An interval linear programming was developed, and a method for solving interval linear programming was presented. An illustrative case was studied by the proposed model, and the results showed that the proposed model is feasible for designing biofuel supply chain under uncertainties. Copyright © 2015 Elsevier Ltd. All rights reserved.

  2. Expanded life-cycle analysis to optimize spacecraft life support system design

    NASA Astrophysics Data System (ADS)

    Russell, James F.

    The life-cycle of a human space mission begins with the conceptual design and ends with the return or disposal of the spacecraft. A major component of the spacecraft is the environmental control and life support system (ECLSS) that supports the crew. Historically, conceptual designs of ECLSS focused on launch costs; however, current missions with longer timelines have meaningful life cycle costs beyond launch costs. To reduce these costs, the author proposed an expanded life cycle analysis to optimize designs while meeting the somewhat contradictory goals for success and safety. Expanding the life cycle analysis of ECLSS, is particularly important, because space-habitat-maintenance has been anecdotally reported as taking time away from science activities on the International Space Station (ISS). To understand this potential issue, the author examined ISS crew time use and different approaches to ECLSS design. An analysis of ISS crew time use determined that each crew member spent at least 1.8 hours per day performing ISS maintenance tasks. Regardless of the confounding causal mechanisms, crew time spent on habitat maintenance on Skylab and ISS exceeded that estimated by design, thus reducing crew time allotted to perform other tasks, although not necessarily science. Upon further examination, analysis of ECLSS maintenance revealed that operational crew time estimates for the ISS mission design were low by an order of magnitude. A review of the literature indicates this work is the first time that design estimates were compared quantitatively to operational time and shown to be less for ECLSS. Based on these findings, Skylab and ISS missions were oversubscribed due to a mismatch between maintenance and operational time requirements. This mismatch most likely occurred, because only part of operational crew time was considered. Even with the inclusion of operational crew time, the ECLSS design for ISS may not have changed, but the ISS-equivalent case study indicated

  3. Biogeochemical niche: optimality, acclimation and adaptation principles in nutrient cycling under global change.

    NASA Astrophysics Data System (ADS)

    Penuelas, J.; Sardans, J.

    2016-12-01

    There are several processes underlying the shifts in organism's functions, species composition and ecosystem adaptation to the fast rates of environmental changes resulting from global change drivers. These environmental changes imply a shift in the use and cycling of resources, and in particular of nutrients, by organisms, communities and ecosystems. We will review the different use of bio-elements related to global change drivers such as climate change (warming and drought), increased concentrations of atmospheric CO2, or expansion of invasive species among others. Thereafter, we will discuss the resulting progressive change in nutrient cycling and its coupling with organism's, species, communities and ecosystem function in the frame of the biogeochemical niche hypothesis (Peñuelas et al., 2008; 2010). This hypothesis, based on the fact that each bio-element participates in different proportion in distinct organism's structures and functions, claims that each species has an optimal elemental composition and stoichiometry that allows reaching an optimal functioning. Species are nonetheless expected to exhibit a certain degree of stoichiometric flexibility (adaptive capacity) necessary to respond to environmental changes and competition, probably with a trade-off with stability. We will present data for the dominant tree species in Europe showing that the elemental foliar composition differences among species can be explained by their phylogenetic distances, current climate differences in their distribution areas and niche speciation in sympatric species, but also by some more recent human-driven impacts such as N deposition, thus showing the suitability and sensitivity of the "biogeochemical niche" concept to understand recent organism's, species, and ecosystem responses to novel environmental conditions imposed by human activity. We will finally discuss possible clues to improve the projections of ecosystem shifts in global change scenarios based on this concept.

  4. Optimizing the Team for Required Power During Track Cycling Team Pursuit.

    PubMed

    Heimans, Levi; Dijkshoorn, Wouter R; Hoozemans, Marco J M; de Koning, Jos J

    2017-03-24

    Since the aim of the men's team pursuit in time trial track cycling is to accomplish a distance of 4000m as fast as possible, optimizing aerodynamic drag can contribute to achieving this goal. The aim of this study is to determine the drafting effect in second, third and fourth position during the team pursuit in track cycling as a function of the team members' individual frontal areas in order to minimize the required power. Eight experienced track cyclists of the Dutch national selection performed 39 trials of 3-km in different teams of four cyclists at a constant velocity of 15.75 m/s. Frontal projected areas were determined and together with field derived drag coefficients (Cd) for all four positions, the relationships between frontal areas of team members and drag fractions were estimated using Generalized Estimating Equations. The frontal area (Ap) of both the cyclist directly in front of the drafter and the drafter himself turned out to be significant determinants of the drag fraction at the drafter's position (p<0.05), for all three drafting positions. Predicted required power for individuals in drafting positions differed up to 35 W depending on team composition. For a team, a maximal difference in team efficiency (1.2%) exists by selecting cyclists in a specific sequence. Estimating required power for a specific team composition gives insight into differences in team efficiency for the team pursuit. Furthermore, required power for individual team members ranges substantially depending on team composition.

  5. Computerized systems analysis and optimization of aircraft engine performance, weight, and life cycle costs

    NASA Technical Reports Server (NTRS)

    Fishbach, L. H.

    1979-01-01

    The computational techniques utilized to determine the optimum propulsion systems for future aircraft applications and to identify system tradeoffs and technology requirements are described. The characteristics and use of the following computer codes are discussed: (1) NNEP - a very general cycle analysis code that can assemble an arbitrary matrix fans, turbines, ducts, shafts, etc., into a complete gas turbine engine and compute on- and off-design thermodynamic performance; (2) WATE - a preliminary design procedure for calculating engine weight using the component characteristics determined by NNEP; (3) POD DRG - a table look-up program to calculate wave and friction drag of nacelles; (4) LIFCYC - a computer code developed to calculate life cycle costs of engines based on the output from WATE; and (5) INSTAL - a computer code developed to calculate installation effects, inlet performance and inlet weight. Examples are given to illustrate how these computer techniques can be applied to analyze and optimize propulsion system fuel consumption, weight, and cost for representative types of aircraft and missions.

  6. Solvent replacement for green processing.

    PubMed Central

    Sherman, J; Chin, B; Huibers, P D; Garcia-Valls, R; Hatton, T A

    1998-01-01

    The implementation of the Montreal Protocol, the Clean Air Act, and the Pollution Prevention Act of 1990 has resulted in increased awareness of organic solvent use in chemical processing. The advances made in the search to find "green" replacements for traditional solvents are reviewed, with reference to solvent alternatives for cleaning, coatings, and chemical reaction and separation processes. The development of solvent databases and computational methods that aid in the selection and/or design of feasible or optimal environmentally benign solvent alternatives for specific applications is also discussed. Images Figure 2 Figure 3 PMID:9539018

  7. Integration and optimization of the gas removal system for hybrid-cycle OTEC power plants

    SciTech Connect

    Rabas, T.J.; Panchal, C.B.; Stevens, H.C. )

    1990-02-01

    A preliminary design of the noncondensible gas removal system for a 10 mWe, land-based hybrid-cycle OTEC power plant has been developed and is presented herein. This gas removal system is very different from that used for conventional power plants because of the substantially larger and continuous noncondensible gas flow rates and lower condenser pressure levels which predicate the need for higher-efficiency components. Previous OTEC studies discussed the need for multiple high-efficiency compressors with intercoolers; however, no previous design effort was devoted to the details of the intercoolers, integration and optimization of the intercoolers with the compressors, and the practical design constraints and feasibility issues of these components. The resulting gas removal system design uses centrifugal (radial) compressors with matrix-type crossflow aluminum heat exchangers as intercoolers. Once-through boiling of ammonia is used as the heat sink for the cooling and condensing of the steam-gas mixture. A computerized calculation method was developed for the performance analysis and subsystem optimization. For a specific number of compressor units and the stream arrangement, the method is used to calculate the dimensions, speeds, power requirements, and costs of all the components.

  8. Premium cost optimization of operational and maintenance of green building in Indonesia using life cycle assessment method

    NASA Astrophysics Data System (ADS)

    Latief, Yusuf; Berawi, Mohammed Ali; Basten, Van; Budiman, Rachmat; Riswanto

    2017-06-01

    Building has a big impact on the environmental developments. There are three general motives in building, namely the economy, society, and environment. Total completed building construction in Indonesia increased by 116% during 2009 to 2011. It made the energy consumption increased by 11% within the last three years. In fact, 70% of energy consumption is used for electricity needs on commercial buildings which leads to an increase of greenhouse gas emissions by 25%. Green Building cycle costs is known as highly building upfront cost in Indonesia. The purpose of optimization in this research improves building performance with some of green concept alternatives. Research methodology is mixed method of qualitative and quantitative approaches through questionnaire surveys and case study. Assessing the successful of optimization functions in the existing green building is based on the operational and maintenance phase with the Life Cycle Assessment Method. Choosing optimization results were based on the largest efficiency of building life cycle and the most effective cost to refund.

  9. Immobilization of Lipase by Adsorption Onto Magnetic Nanoparticles in Organic Solvents.

    PubMed

    Shi, Ying; Liu, Wei; Tao, Qing-Lan; Jiang, Xiao-Ping; Liu, Cai-Hong; Zeng, Sha; Zhang, Ye-Wang

    2016-01-01

    In order to improve the performance of lipase in organic solvents, a simple immobilization method was developed by adsorption of lipase onto Fe₃O₄@ SiO₂magnetic nanoparticles in organic solvent. Among the solvents tested, toluene was found to be the most effective solvent for the immobilization. A maximum immobilization yield of 97% and relative activity of 124% were achieved in toluene at 30 °C. The optimal temperature, enzyme loading and water activity were 30 °C, 1.25 mg/mg support and 0.48 aw, respectively. The residual activity of immobilized lipase was 67% after 10 cycles of use. The advantages of the immobilized lipase including easy recovery, high stability, and enhanced activity of immobilized lipase in organic solvents show potential industrial applications in anhydrous solvents.

  10. Design of optimal solvent for extraction of bio-active ingredients from six varieties of Medicago sativa.

    PubMed

    Caunii, Angela; Pribac, George; Grozea, Ioana; Gaitin, Dorin; Samfira, Ionel

    2012-10-26

    Extensive research has been performed worldwide and important evidences were collected to show the immense potential of plants used in various traditional therapeutic systems. The aim of this work is to investigate the different extracting solvents in terms of the influence of their polarity on the extracting ability of bioactive molecules (phenolic compounds) from the M. sativa flowers. The total phenolic content of samples was determined using the Folin Ciocalteu (FC) procedure and their antioxidant activity was assayed through in vitro radical decomposing activity using the radical DPPH° assay (IUPAC name for DPPH is (phenyl)-(2,4,6-trinitrophenyl) iminoazanium). The results showed that water was better than methanol and acetic acid for extracting bioactive compounds, in particular for total phenolic compounds from the flowers of alfalfa. The average content of bioactive molecules in methanol extract was 263.5±1.02 mg GAE/100g of dry weight lyophilized extract. The total phenolic content of the tested plant extracts was highly correlated with the radical decomposing activity. However, all extracts were free-radical inhibitors, but the water extract was more potent than the acetic and the methanol ones. The order of inhibitor effectiveness (expressed by IC50) proved to be: water extract (0.924mg/mL) > acetic acid extract (0.154mg/mL) > methanol (0.079mg/mL). The profiles of each extract (fingerprint) were characterized by FT-MIR spectroscopy. The present study compares the fingerprint of different extracts of the M. sativa flowers, collected from the wild flora of Romania. The total phenolic content of the tested plant extracts was highly correlated with the radical decomposing activity. The dependence of the extract composition on the solvent polarity (acetic acid vs. methanol vs. water) was revealed by UV-VIS spectrometry and Infrared fingerprint.

  11. Design of optimal solvent for extraction of bio–active ingredients from six varieties of Medicago sativa

    PubMed Central

    2012-01-01

    Background Extensive research has been performed worldwide and important evidences were collected to show the immense potential of plants used in various traditional therapeutic systems. The aim of this work is to investigate the different extracting solvents in terms of the influence of their polarity on the extracting ability of bioactive molecules (phenolic compounds) from the M. sativa flowers. Results The total phenolic content of samples was determined using the Folin Ciocalteu (FC) procedure and their antioxidant activity was assayed through in vitro radical decomposing activity using the radical DPPH° assay (IUPAC name for DPPH is (phenyl)–(2,4,6–trinitrophenyl) iminoazanium). The results showed that water was better than methanol and acetic acid for extracting bioactive compounds, in particular for total phenolic compounds from the flowers of alfalfa. The average content of bioactive molecules in methanol extract was 263.5±1.02 mg GAE/100g of dry weight lyophilized extract. The total phenolic content of the tested plant extracts was highly correlated with the radical decomposing activity. However, all extracts were free–radical inhibitors, but the water extract was more potent than the acetic and the methanol ones. The order of inhibitor effectiveness (expressed by IC50) proved to be: water extract (0.924mg/mL) > acetic acid extract (0.154mg/mL) > methanol (0.079mg/mL). The profiles of each extract (fingerprint) were characterized by FT–MIR spectroscopy. Conclusions The present study compares the fingerprint of different extracts of the M. sativa flowers, collected from the wild flora of Romania. The total phenolic content of the tested plant extracts was highly correlated with the radical decomposing activity. The dependence of the extract composition on the solvent polarity (acetic acid vs. methanol vs. water) was revealed by UV–VIS spectrometry and Infrared fingerprint. PMID:23098128

  12. Optimization and experimental validation of a thermal cycle that maximizes entropy coefficient fisher identifiability for lithium iron phosphate cells

    NASA Astrophysics Data System (ADS)

    Mendoza, Sergio; Rothenberger, Michael; Hake, Alison; Fathy, Hosam

    2016-03-01

    This article presents a framework for optimizing the thermal cycle to estimate a battery cell's entropy coefficient at 20% state of charge (SOC). Our goal is to maximize Fisher identifiability: a measure of the accuracy with which a parameter can be estimated. Existing protocols in the literature for estimating entropy coefficients demand excessive laboratory time. Identifiability optimization makes it possible to achieve comparable accuracy levels in a fraction of the time. This article demonstrates this result for a set of lithium iron phosphate (LFP) cells. We conduct a 24-h experiment to obtain benchmark measurements of their entropy coefficients. We optimize a thermal cycle to maximize parameter identifiability for these cells. This optimization proceeds with respect to the coefficients of a Fourier discretization of this thermal cycle. Finally, we compare the estimated parameters using (i) the benchmark test, (ii) the optimized protocol, and (iii) a 15-h test from the literature (by Forgez et al.). The results are encouraging for two reasons. First, they confirm the simulation-based prediction that the optimized experiment can produce accurate parameter estimates in 2 h, compared to 15-24. Second, the optimized experiment also estimates a thermal time constant representing the effects of thermal capacitance and convection heat transfer.

  13. Optimization and validation of a methodology based on solvent extraction and liquid chromatography for the simultaneous determination of several polyphenolic families in fruit juices.

    PubMed

    Abad-García, B; Berrueta, L A; López-Márquez, D M; Crespo-Ferrer, I; Gallo, B; Vicente, F

    2007-06-22

    A solvent extraction procedure of freeze-dried aliquots followed by the analysis of phenolic compounds by reversed-phase high-performance liquid chromatography (RP-HPLC) with photodiode array detection (DAD) has been developed for the analysis of polyphenolic compounds in fruit juices. This methodology is focussed on the characterization of fruit juices, mainly for quality control purposes. The effects of experimental variables, such as solvent composition and volume and time and temperature on extraction, have been studied. A unique gradient program for the separation of several phenolic classes (hydroquinones, hydroxybenzoic acids, flavan-3-oles, hydroxycinnamic acids, coumarins, flavanones, flavones, dihydrochalcones and flavonols) has been optimized, using standards of 55 commercially available phenolic compounds present in fruits, as well as representative real extracts from fruit juices. All phenolic compounds showed a high repeatability within-day (n=5) and between days (n=3) in peak area (RSD<8%) and excellent stability of their retention times. High precision was also observed in calibration slopes (RSD<8%). Detection limits ranged between 0.005 and 0.03 microg/mL for the different detected polyphenols. Complete recoveries (98-100%) were obtained for the majority of the phenolic structures of all representative phenolic families present in fruits. The method was successfully employed to measure diverse phenolic families in juices from 18 different fruits and consequently could be used for evaluate the quality of fruit juices.

  14. Cuckoo Search Algorithm Based on Repeat-Cycle Asymptotic Self-Learning and Self-Evolving Disturbance for Function Optimization

    PubMed Central

    Wang, Jie-sheng; Li, Shu-xia; Song, Jiang-di

    2015-01-01

    In order to improve convergence velocity and optimization accuracy of the cuckoo search (CS) algorithm for solving the function optimization problems, a new improved cuckoo search algorithm based on the repeat-cycle asymptotic self-learning and self-evolving disturbance (RC-SSCS) is proposed. A disturbance operation is added into the algorithm by constructing a disturbance factor to make a more careful and thorough search near the bird's nests location. In order to select a reasonable repeat-cycled disturbance number, a further study on the choice of disturbance times is made. Finally, six typical test functions are adopted to carry out simulation experiments, meanwhile, compare algorithms of this paper with two typical swarm intelligence algorithms particle swarm optimization (PSO) algorithm and artificial bee colony (ABC) algorithm. The results show that the improved cuckoo search algorithm has better convergence velocity and optimization accuracy. PMID:26366164

  15. Optimal allocation and effectiveness of the heat exchangers for a power plant with two like-Carnot cycles

    NASA Astrophysics Data System (ADS)

    Aragón-González, G.; León-Galicia, A.

    2017-01-01

    A stationary power plant with two Carnot-like cycles is optimized. Each cycle has the following irreversibilities: finite rate heat transfer between the working fluid and the external heat sources, internal dissipation of the working fluid, and heat leak between reservoirs; is extended to two or more of this combined model. Using the Bellman’ Principle, we find the optimal recurrence relations for the allocation of the heat exchangers for this power plant. The optimal allocation or effectiveness of the heat exganchers of power plant is determined by two design rules: internal thermal conductance fixed; or areas fixed. The optimal obtained are invariant to the power and efficiency and to the heat transfer law.

  16. Cuckoo Search Algorithm Based on Repeat-Cycle Asymptotic Self-Learning and Self-Evolving Disturbance for Function Optimization.

    PubMed

    Wang, Jie-sheng; Li, Shu-xia; Song, Jiang-di

    2015-01-01

    In order to improve convergence velocity and optimization accuracy of the cuckoo search (CS) algorithm for solving the function optimization problems, a new improved cuckoo search algorithm based on the repeat-cycle asymptotic self-learning and self-evolving disturbance (RC-SSCS) is proposed. A disturbance operation is added into the algorithm by constructing a disturbance factor to make a more careful and thorough search near the bird's nests location. In order to select a reasonable repeat-cycled disturbance number, a further study on the choice of disturbance times is made. Finally, six typical test functions are adopted to carry out simulation experiments, meanwhile, compare algorithms of this paper with two typical swarm intelligence algorithms particle swarm optimization (PSO) algorithm and artificial bee colony (ABC) algorithm. The results show that the improved cuckoo search algorithm has better convergence velocity and optimization accuracy.

  17. Optimization of variables affecting the direct transesterification of wet biomass from Nannochloropsis oceanica using ionic liquid as a co-solvent.

    PubMed

    Lee, Hansol; Shin, Won-Sub; Jung, Joo-Young; Kim, Chul Woong; Lee, Jae W; Kwon, Jong-Hee; Yang, Ji-Won

    2015-05-01

    Ionic liquids have many applications, one of which entails their utilization as powerful solvents. In the present study, various experimental conditions of ionic liquid-mediated direct transesterification were investigated in terms of lipid-extracting ionic liquids, catalyst, reaction time, reaction temperature and volume of methanol to achieve effective FAME conversion with wet microalgal feedstock, Nannochloropsis oceanica. With ionic liquid, [Bmim][CF3SO3], highest fatty acid methyl ester (FAME) yield was shown. Among many experimental parameters, the two most critical factors to enhance FAME conversion were characteristic of ionic liquids and volume of methanol. Optimized ionic liquid-mediated direct transesterification of wet N. oceanica, compared with a control experiment using chloroform and methanol, increased the FAME conversion yield by 11-fold.

  18. Optimized working conditions for a thermoelectric generator as a topping cycle for gas turbines

    NASA Astrophysics Data System (ADS)

    Brady Knowles, C.; Lee, Hohyun

    2012-10-01

    This paper presents a model for a theoretical maximum efficiency of a thermoelectric generator integrated with a Brayton-cycle engine. The thermoelectric cycle is presented in two configurations as a topping cycle and a preheating topping cycle. For the topping cycle configuration, the thermoelectric generator receives heat from a high-temperature heat source and produces electrical work before rejecting heat to a Brayton cycle. For the preheating topping cycle, the rejected heat from the thermoelectric generator partially heats the compressed working fluid of the Brayton cycle before a secondary heater delivers heat to the working fluid directly from the heat source. The thermoelectric topping cycle efficiency increases as the temperature difference between the hot- and cold-side increases; however, this limits the heat transfer possible to the Brayton cycle, which in turn reduces power generation from the Brayton cycle. This model identifies the optimum operating parameters of the thermoelectric and Brayton cycles to obtain the maximum thermal efficiency of the combined cycle. In both configurations, efficiency gains are larger at low-temperature Brayton cycles. Although a thermoelectric generator (TEG) topping cycle enhances efficiency for a low temperature turbine, efficiency cannot exceed a high temperature gas turbine. Using a TEG topping cycle is limited to cases when space or price for a high temperature turbine cannot be justified. A design to achieve the preheating thermoelectric topping cycle is also presented.

  19. Development of a protocol to optimize electric power consumption and life cycle environmental impacts for operation of wastewater treatment plant.

    PubMed

    Piao, Wenhua; Kim, Changwon; Cho, Sunja; Kim, Hyosoo; Kim, Minsoo; Kim, Yejin

    2016-12-01

    In wastewater treatment plants (WWTPs), the portion of operating costs related to electric power consumption is increasing. If the electric power consumption decreased, however, it would be difficult to comply with the effluent water quality requirements. A protocol was proposed to minimize the environmental impacts as well as to optimize the electric power consumption under the conditions needed to meet the effluent water quality standards in this study. This protocol was comprised of six phases of procedure and was tested using operating data from S-WWTP to prove its applicability. The 11 major operating variables were categorized into three groups using principal component analysis and K-mean cluster analysis. Life cycle assessment (LCA) was conducted for each group to deduce the optimal operating conditions for each operating state. Then, employing mathematical modeling, six improvement plans to reduce electric power consumption were deduced. The electric power consumptions for suggested plans were estimated using an artificial neural network. This was followed by a second round of LCA conducted on the plans. As a result, a set of optimized improvement plans were derived for each group that were able to optimize the electric power consumption and life cycle environmental impact, at the same time. Based on these test results, the WWTP operating management protocol presented in this study is deemed able to suggest optimal operating conditions under which power consumption can be optimized with minimal life cycle environmental impact, while allowing the plant to meet water quality requirements.

  20. Environmental life cycle optimization of essential terpene oils produced by the macroalga Ochtodes secundiramea.

    PubMed

    Pérez-López, Paula; Jeffryes, Clayton; Agathos, Spiros N; Feijoo, Gumersindo; Rorrer, Gregory; Moreira, María Teresa

    2016-01-15

    The macroalga Ochtodes secundiramea is a well-known producer of essential terpene oils with promising biological activities and similar applications to those of microalgal biocompounds in the pharmaceutical, food or cosmetics sectors. This study assesses the environmental impacts associated with the production of five essential terpene oils (myrcene, 10Z-bromomyrcene, 10E-bromo-3-chloromyrcene, apakaochtodene B and acyclic C10H14Br2) by O. secundiramea cultivated in a closed airlift photobioreactor with artificial illumination. The results of the life cycle assessment (LCA) allowed analyzing the effect of implementing a semi-continuous operation on several stages of the life cycle of the products, which may lead to impact reductions from 1% up to 25%. Regarding the most problematic aspects of the process, the cultivation in the photobioreactor (S4) was identified as the main stage responsible for the environmental burdens, with contributions ranging between 60% and 80% of the total impacts for a semi-continuous production maintained during one year of operation. The electricity supply is the key activity affecting eight of the ten assessed categories and involves between 50% and 60% of the impact of the process. S4 is the main cause of the high energy requirements, with 86% of the total electricity consumption. Additionally, several scenarios aiming at improving the environmental profile of the system were evaluated. The application of LCA finally led to the proposal of two optimized scenarios with improvements between 8% and 40% with respect to the baseline case study. Copyright © 2015 Elsevier B.V. All rights reserved.

  1. Towards optimized methods to study viral impacts on soil microbial carbon cycling

    NASA Astrophysics Data System (ADS)

    Trubl, G. G.; Roux, S.; Jang, H. B.; Solonenko, N.; Sullivan, M. B.; Rich, V. I.

    2016-12-01

    Permafrost contains 50% of global soil carbon and is rapidly thawing. While the fate of this carbon is currently unknown, it will undoubtedly be shaped by microbes and their associated viruses, which modulate host activities via mortality and metabolic control. However, little is known about soil viruses generally and their impact on terrestrial biogeochemistry; this is partially due to the presence of inhibitory substances (e.g. humic acids) in soils that interfere with sample processing and sequence-based metagenomics surveys. To address this problem, we examined viral populations in three different peat soils along a permafrost thaw gradient. These samples yielded low viral DNA recoveries, and shallow metagenomic sequencing, but still resulted in the recovery of 40 viral genome fragments. Genome- and network-based classification suggested that these new references represented 11 viral clusters, and ecological patterns (based upon non-redundant fragment recruitment) showed that viral populations were distinct in each habitat. Although only 31% of the genes could be functionally classified, pairwise genome comparisons classified 63% of the viruses taxonomically. Additionally, comparison of the 40 viral genome fragments to 53 previously recovered fragments from the same site showed no overlap, suggesting only a small portion of the resident viral community has been sampled. A follow-up experiment was performed to remove more humics during extraction and thereby obtain better viral metagenomes. Three DNA extraction protocols were tested (CTAB, PowerSoil, and Wizard columns) and the DNA was further purified with an AMPure clean-up. The PowerSoil kit maximized DNA yield (3x CTAB and 6x Wizard), and yielded the purest DNA (based on NanoDrop 260:230 ratio). Given the important roles of viruses in biogeochemical cycles in better-studied systems, further research and humic-removal optimization on these thawing permafrost-associated viral communities is needed to clarify

  2. Rapid titration of measles and other viruses: optimization with determination of replication cycle length.

    PubMed

    Grigorov, Boyan; Rabilloud, Jessica; Lawrence, Philip; Gerlier, Denis

    2011-01-01

    Measles virus (MV) is a member of the Paramyxoviridae family and an important human pathogen causing strong immunosuppression in affected individuals and a considerable number of deaths worldwide. Currently, measles is a re-emerging disease in developed countries. MV is usually quantified in infectious units as determined by limiting dilution and counting of plaque forming unit either directly (PFU method) or indirectly from random distribution in microwells (TCID50 method). Both methods are time-consuming (up to several days), cumbersome and, in the case of the PFU assay, possibly operator dependent. A rapid, optimized, accurate, and reliable technique for titration of measles virus was developed based on the detection of virus infected cells by flow cytometry, single round of infection and titer calculation according to the Poisson's law. The kinetics follow up of the number of infected cells after infection with serial dilutions of a virus allowed estimation of the duration of the replication cycle, and consequently, the optimal infection time. The assay was set up to quantify measles virus, vesicular stomatitis virus (VSV), and human immunodeficiency virus type 1 (HIV-1) using antibody labeling of viral glycoprotein, virus encoded fluorescent reporter protein and an inducible fluorescent-reporter cell line, respectively. Overall, performing the assay takes only 24-30 hours for MV strains, 12 hours for VSV, and 52 hours for HIV-1. The step-by-step procedure we have set up can be, in principle, applicable to accurately quantify any virus including lentiviral vectors, provided that a virus encoded gene product can be detected by flow cytometry.

  3. Rapid Titration of Measles and Other Viruses: Optimization with Determination of Replication Cycle Length

    PubMed Central

    Grigorov, Boyan; Rabilloud, Jessica; Lawrence, Philip; Gerlier, Denis

    2011-01-01

    Background Measles virus (MV) is a member of the Paramyxoviridae family and an important human pathogen causing strong immunosuppression in affected individuals and a considerable number of deaths worldwide. Currently, measles is a re-emerging disease in developed countries. MV is usually quantified in infectious units as determined by limiting dilution and counting of plaque forming unit either directly (PFU method) or indirectly from random distribution in microwells (TCID50 method). Both methods are time-consuming (up to several days), cumbersome and, in the case of the PFU assay, possibly operator dependent. Methods/Findings A rapid, optimized, accurate, and reliable technique for titration of measles virus was developed based on the detection of virus infected cells by flow cytometry, single round of infection and titer calculation according to the Poisson's law. The kinetics follow up of the number of infected cells after infection with serial dilutions of a virus allowed estimation of the duration of the replication cycle, and consequently, the optimal infection time. The assay was set up to quantify measles virus, vesicular stomatitis virus (VSV), and human immunodeficiency virus type 1 (HIV-1) using antibody labeling of viral glycoprotein, virus encoded fluorescent reporter protein and an inducible fluorescent-reporter cell line, respectively. Conclusion Overall, performing the assay takes only 24–30 hours for MV strains, 12 hours for VSV, and 52 hours for HIV-1. The step-by-step procedure we have set up can be, in principle, applicable to accurately quantify any virus including lentiviral vectors, provided that a virus encoded gene product can be detected by flow cytometry. PMID:21915289

  4. Extrinsic pseudocapacitve Li-ion storage of SnS anode via lithiation-induced structural optimization on cycling

    NASA Astrophysics Data System (ADS)

    Lian, Qingwang; Zhou, Gang; Liu, Jiatu; Wu, Chen; Wei, Weifeng; Chen, Libao; Li, Chengchao

    2017-10-01

    Here, we report a new enhanced extrinsic pseudocapacitve Li-ion storage mechanism via lithiation-induced structural optimization strategy. The flower-like C@SnS and bulk SnS exhibit initial capacity decay and subsequent increase of capacity on cycling. After a long-term lithiation/delithiation process, flower-like C@SnS and bulk SnS exhibit improved rate performance and reversible capacity in comparison with those of initial state. Moreover, a high capacity of 530 mAh g-1 is still remained even after 1550 cycles at a high current density of 5.0 A g-1 for flower-like C@SnS after pre-lithiation of 350 cycles. According to the comprehensive analysis of structural evolution and electrochemical performance, it demonstrates that SnS electrodes experience crystal size reduction and further amorphization on cycling, which enhances the reversibility of conversion reaction for SnS, leading to increasing capacity. On the other hand, surface-dominated extrinsic pseudocapacitive contribution results in enhanced rate performance because electrodes expose a large fraction of Li+ sites on surface or near-surface region with structural optimization on cycling. This study reveals that extrinsic pseudocapacitance of SnS can be stimulated via lithiation-induced structural optimization, which gives rise to high-rate and long-lived performances.

  5. A global optimization method synthesizing heat transfer and thermodynamics for the power generation system with Brayton cycle

    NASA Astrophysics Data System (ADS)

    Fu, Rong-Huan; Zhang, Xing

    2016-09-01

    Supercritical carbon dioxide operated in a Brayton cycle offers a numerous of potential advantages for a power generation system, and a lot of thermodynamics analyses have been conducted to increase its efficiency. Because there are a lot of heat-absorbing and heat-lossing subprocesses in a practical thermodynamic cycle and they are implemented by heat exchangers, it will increase the gross efficiency of the whole power generation system to optimize the system combining thermodynamics and heat transfer theory. This paper analyzes the influence of the performance of heat exchangers on the actual efficiency of an ideal Brayton cycle with a simple configuration, and proposes a new method to optimize the power generation system, which aims at the minimum energy consumption. Although the method is operated only for the ideal working fluid in this paper, its merits compared to that only with thermodynamic analysis are fully shown.

  6. Life Cycle Assessment as a tool for water management optimization in textile finishing industry

    NASA Astrophysics Data System (ADS)

    Tarantini, Mario; Scalbi, Simona; Misceo, Monica; Verità, Simona

    2004-12-01

    In several countries, due to the increasing cost and shortage of water, textile finishing industries are looking for non conventional water resources. The use of reclaimed wastewater appears a technically feasible solution and is gaining a growing consensus. A European Union research project (TOWEF0, Towards effluent zero) with the aim of elaborating a multicriteria integrated and coherent methodology to support the implementation of sustainable water reuse in textile finishing processes has been recently concluded. In order to achieve an optimal compromise between minimization of environmental impacts of the production processes and maximum recovery of resources, Life Cycle Assessment (LCA) methodology has been applied to selected textile products manufactured within Belgian and Italian textile finishing companies. The study identified the key environmental issues within the finishing processes of a variety of natural (cotton, silk) and man-made (polyester, acetate, viscose) fibers and fabrics and analyzed alternative water reuse scenarios. Significant margins exist for impressive reductions in water consumption with almost no additional environmental impact adopting in situ membrane filtration technology. In this paper the methodological approach and the results of the LCA analyses applied to a flax-polyester product are presented and discussed.

  7. Solvent substitution

    SciTech Connect

    Not Available

    1990-01-01

    The DOE Environmental Restoration and Waste Management Office of Technology Development and the Air Force Engineering and Services Center convened the First Annual International Workshop on Solvent Substitution on December 4--7, 1990. The primary objectives of this joint effort were to share information and ideas among attendees in order to enhance the development and implementation of required new technologies for the elimination of pollutants associated with industrial use of hazardous and toxic solvents; and to aid in accelerating collaborative efforts and technology transfer between government and industry for solvent substitution. There were workshop sessions focusing on Alternative Technologies, Alternative Solvents, Recovery/Recycling, Low VOC Materials and Treatment for Environmentally Safe Disposal. The 35 invited papers presented covered a wide range of solvent substitution activities including: hardware and weapons production and maintenance, paint stripping, coating applications, printed circuit boards, metal cleaning, metal finishing, manufacturing, compliance monitoring and process control monitoring. This publication includes the majority of these presentations. In addition, in order to further facilitate information exchange and technology transfer, the US Air Force and DOE solicited additional papers under a general Call for Papers.'' These papers, which underwent review and final selection by a peer review committee, are also included in this combined Proceedings/Compendium. For those involved in handling, using or managing hazardous and toxic solvents, this document should prove to be a valuable resource, providing the most up-to-date information on current technologies and practices in solvent substitution. Individual papers are abstracted separated.

  8. Cooperative effects of solvent and polymer acceptor co-additives in P3HT:PDI solar cells: simultaneous optimization in lateral and vertical phase separation.

    PubMed

    Li, Mingguang; Wang, Lei; Liu, Jiangang; Zhou, Ke; Yu, Xinhong; Xing, Rubo; Geng, Yanhou; Han, Yanchun

    2014-03-14

    In this work, solvent chloronaphthalene (CN) and polymer acceptor an alternating copolymer of perylene diimide and carbazole (PCPDI) were utilized as co-additives to optimize the nanoscale phase-separated morphology and photovoltaic properties of bulk-heterojunction (BHJ) polymer solar cells based on the poly(3-hexyl thiophene) (P3HT)/N,N'-bis(1-ethylpropyl)-perylene-3,4,9,10-tetracarboxylic diimide (EP-PDI) system. The domain size of EP-PDI molecules together with that of P3HT distinctly decreased by adding a 0.75 vol% CN additive. The optimized lateral phase separation increased the donor-acceptor interfacial area and facilitated the exciton dissociation process, leading to 5-fold enhancement of short-circuit current (JSC). Furthermore, when PCPDI was employed as a co-additive, acceptor materials (including PCPDI and EP-PDI) were prone to aggregation towards the top surface of blend films, improving vertical phase separation of active layers. PCPDI incorporation, which improved the percolation pathways for electron carriers, suppressed the crystallinity of P3HT distinctly. Thus, much more balanced charge transport was achieved by PCPDI addition, which resulted in almost 1-fold enhancement of open-circuit voltage (VOC) by reducing nongeminate recombination. As a consequence, cooperative effects of CN and PCPDI additives improved the nanoscale phase-separated morphology in lateral and vertical directions simultaneously, achieving the enhancement in both VOC and JSC.

  9. Unraveling the fundamental mechanisms of solvent-additive-induced optimization of power conversion efficiencies in organic photovoltaic devices

    DOE PAGES

    Herath, Nuradhika; Das, Sanjib; Zhu, Jiahua; ...

    2016-07-12

    The realization of controllable morphologies of bulk heterojunction (BHJ) in organic photovoltics (OPVs) is one of the key factors in obtaining high-efficiency devices. Here via simultaneous monitoring of the three-dimensional nanostructural modifications in BHJ correlated with the optical analysis and theoretical modeling of charge transport, we provide new insights into the fundamental mechanisms essential for the optimization of (power conversion efficiency) PCEs with additive processing. Our results demonstrate how a trace amount of diiodooctane (DIO) remarkably changes the vertical phase morphology of the active layers resulting in formation of a well-mixed donor-acceptor compact film, augments charge transfer and PCEs. Inmore » contrast, excess amount of DIO promotes a massive reordering and results loosely packed mixed phase vertical phase morphology with large clusters leading to deterioration in PCEs. Theoretical modeling of charge transport reveals that DIO increases the mobility of electrons and holes (the charge carriers) by affecting the energetic disorder and electric field dependence of the mobility. Our results show the significant of phase separation and carrier transport pathways to achieve optimal device performances.« less

  10. Unraveling the fundamental mechanisms of solvent-additive-induced optimization of power conversion efficiencies in organic photovoltaic devices

    SciTech Connect

    Herath, Nuradhika; Das, Sanjib; Zhu, Jiahua; Kumar, Rajeev; Chen, Jihua; Xiao, Kai; Gu, Gong; Browning, James F.; Sumpter, Bobby G.; Ivanov, Ilia N.; Lauter, Valeria

    2016-07-12

    The realization of controllable morphologies of bulk heterojunction (BHJ) in organic photovoltics (OPVs) is one of the key factors in obtaining high-efficiency devices. Here via simultaneous monitoring of the three-dimensional nanostructural modifications in BHJ correlated with the optical analysis and theoretical modeling of charge transport, we provide new insights into the fundamental mechanisms essential for the optimization of (power conversion efficiency) PCEs with additive processing. Our results demonstrate how a trace amount of diiodooctane (DIO) remarkably changes the vertical phase morphology of the active layers resulting in formation of a well-mixed donor-acceptor compact film, augments charge transfer and PCEs. In contrast, excess amount of DIO promotes a massive reordering and results loosely packed mixed phase vertical phase morphology with large clusters leading to deterioration in PCEs. Theoretical modeling of charge transport reveals that DIO increases the mobility of electrons and holes (the charge carriers) by affecting the energetic disorder and electric field dependence of the mobility. Our results show the significant of phase separation and carrier transport pathways to achieve optimal device performances.

  11. Optimization of power-cycle arrangements for Supercritical Water cooled Reactors (SCWRs)

    NASA Astrophysics Data System (ADS)

    Lizon-A-Lugrin, Laure

    The world energy demand is continuously rising due to the increase of both the world population and the standard of life quality. Further, to assure both a healthy world economy as well as adequate social standards, in a relatively short term, new energy-conversion technologies are mandatory. Within this framework, a Generation IV International Forum (GIF) was established by the participation of 10 countries to collaborate for developing nuclear power reactors that will replace the present technology by 2030. The main goals of these nuclear-power reactors are: economic competitiveness, sustainability, safety, reliability and resistance to proliferation. As a member of the GIF, Canada has decided to orient its efforts towards the design of a CANDU-type Super Critical Water-cooled Reactor (SCWR). Such a system must run at a coolant outlet temperature of about 625°C and at a pressure of 25 MPa. It is obvious that at such conditions the overall efficiency of this kind of Nuclear Power Plant (NPP) will compete with actual supercritical water-power boilers. In addition, from a heat-transfer viewpoint, the use of a supercritical fluid allows the limitation imposed by Critical Heat Flux (CHF) conditions, which characterize actual technologies, to be removed. Furthermore, it will be also possible to use direct thermodynamic cycles where the supercritical fluid expands right away in a turbine without the necessity of using intermediate steam generators and/or separators. This work presents several thermodynamic cycles that could be appropriate to run SCWR power plants. Improving both thermal efficiency and mechanical power constitutes a multi-objective optimization problem and requires specific tools. To this aim, an efficient and robust evolutionary algorithm, based on genetic algorithm, is used and coupled to an appropriate power plant thermodynamic simulation model. The results provide numerous combinations to achieve a thermal efficiency higher than 50% with a

  12. Optimization of thermostable organic solvent-tolerant lipase production by thermotolerant Rhizopus sp. using solid-state fermentation of palm kernel cake.

    PubMed

    Riyadi, Fatimah Azizah; Alam, Md Zahangir; Salleh, Md Noor; Salleh, Hamzah Mohd

    2017-10-01

    This study enhanced the production of thermostable organic solvent-tolerant (TS-OST) lipase by locally isolated thermotolerant Rhizopus sp. strain using solid-state fermentation (SSF) of palm kernel cake (PKC). The optimum conditions were achieved using a series of statistical approaches. The cultivation parameters, which include fermentation time, moisture content, temperature, pH, inoculum size, various carbon and nitrogen sources, as well as other supplements, were initially screened by the definitive screening design, and one-factor-at-a-time using PKC as the basal medium. Three significant factors (olive oil concentration, pH, and inoculum size) were further optimized using face-centred central composite design. The results indicated a successful and significant improvement of lipase activity by almost two-fold compared to the initial screening production. The findings showed that the optimal conditions were 2% (v/w) inoculum size, 2% (v/w) olive oil, 0.6% (w/w) peptone, 2% (v/w) ethanol, 70% moisture content at initial pH 10.0 and 45 °C within 72 h of fermentation. Process optimization resulted in maximum lipase activity of 58.63 U/gram dry solids (gds). The analysis of variance showed that the statistical model was significant (p value <0.0001) and reliable with a high value of R(2) (0.98) and adjusted R(2) (0.96). This indicates a better correlation between the actual and predicted responses of lipase production. By considering this study, the low-cost PKC through SSF appears to be promising in the utilization of agro-industrial waste for TS-OST lipase production. This is because satisfactory enzyme activity could be attained that promises industrial applications.

  13. Optimal loads for a 30-s maximal power cycle ergometer test using a stationary start.

    PubMed

    Vargas, Nicole T; Robergs, Robert A; Klopp, Dawn M

    2015-05-01

    A stationary start modification to the Wingate Anaerobic Test (WAnT) has become increasingly common. The aim of the present study was to determine whether the traditional 85 g kg(-1) body weight (BW) load (TRAD), or an individualized optimal load (OPT), is more suitable for obtaining peak and mean power outputs (PPO and MPO, respectively) for a stationary start. Twelve recreationally active males and 10 females (mean age 30 ± 9.1 and 25 ± 5.5 years, respectively) completed three trials. The first determined the OPT load and included a familiarization of the 30-s stationary start test, followed by two randomized sessions testing the OPT and TRAD loads during the 30-s stationary start test on separate days. For each test, measures of power (watts), time, and cadence were collected to determine PPO, MPO, rate of power decline (rPD) and time to peak power (TtPP). All power data were corrected for flywheel moment of inertia. Results revealed significant differences between OPT and TRAD load settings for males (95.1 ± 10.7 and 85.06 ± 0.40 g kg(-1) BW; p = 0.008) but not for females (84.71 ± 8.72 and 85.2 ± 0.61 g kg(-1) BW; p = 0.813). Relative PPO was not different for OPT or TRAD loads for males (p = 0.485) or females (p = 0.488). It is not necessary to use an OPT load setting to acquire maximal PO for a 30-s cycle test using a stationary start. Instead, the traditional 85 g kg(-1) BW loading is suitable for both males and females.

  14. Optimization and Comparison of Direct and Indirect Supercritical Carbon Dioxide Power Plant Cycles for Nuclear Applications

    SciTech Connect

    Edwin A. Harvego; Michael G. McKellar

    2011-11-01

    There have been a number of studies involving the use of gases operating in the supercritical mode for power production and process heat applications. Supercritical carbon dioxide (CO2) is particularly attractive because it is capable of achieving relatively high power conversion cycle efficiencies in the temperature range between 550 C and 750 C. Therefore, it has the potential for use with any type of high-temperature nuclear reactor concept, assuming reactor core outlet temperatures of at least 550 C. The particular power cycle investigated in this paper is a supercritical CO2 Recompression Brayton Cycle. The CO2 Recompression Brayton Cycle can be used as either a direct or indirect power conversion cycle, depending on the reactor type and reactor outlet temperature. The advantage of this cycle when compared to the helium Brayton cycle is the lower required operating temperature; 550 C versus 850 C. However, the supercritical CO2 Recompression Brayton Cycle requires an operating pressure in the range of 20 MPa, which is considerably higher than the required helium Brayton cycle operating pressure of 8 MPa. This paper presents results of analyses performed using the UniSim process analyses software to evaluate the performance of both a direct and indirect supercritical CO2 Brayton Recompression cycle for different reactor outlet temperatures. The direct supercritical CO2 cycle transferred heat directly from a 600 MWt reactor to the supercritical CO2 working fluid supplied to the turbine generator at approximately 20 MPa. The indirect supercritical CO2 cycle assumed a helium-cooled Very High Temperature Reactor (VHTR), operating at a primary system pressure of approximately 7.0 MPa, delivered heat through an intermediate heat exchanger to the secondary indirect supercritical CO2 Brayton Recompression cycle, again operating at a pressure of about 20 MPa. For both the direct and indirect cycles, sensitivity calculations were performed for reactor outlet temperature

  15. A Novel Lithiated Silicon-Sulfur Battery Exploiting an Optimized Solid-Like Electrolyte to Enhance Safety and Cycle Life.

    PubMed

    Zhou, Dong; Liu, Ming; Yun, Qinbai; Wang, Xia; He, Yan-Bing; Li, Baohua; Yang, Quan-Hong; Cai, Qiang; Kang, Feiyu

    2017-01-01

    Anovel lithiated Si-S battery exploiting an optimized solid-like electrolyte is presented. This electrolyte is fabricated by integrating ether-based liquid electrolyte with SiO2 hollow nanosphere layer to suppress the shuttle effect and fluoroethylene carbonate additive to optimize the anodic solid electrolyte interface. The prepared lithiated Si-S batteries exhibit enhanced cycle life, low flammability, and strong recovery ability against short-circuit. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Optimization of a green extraction method for the recovery of polyphenols from olive leaf using cyclodextrins and glycerin as co-solvents.

    PubMed

    Mourtzinos, Ioannis; Anastasopoulou, Eleni; Petrou, Athanasios; Grigorakis, Spyros; Makris, Dimitris; Biliaderis, Costas G

    2016-11-01

    Olive leaf, an agricultural by-product, was studied for the valorization of its biophenols using green extraction techniques; i.e. non-toxic and eco-friendly extraction solvents were used, involving water and glycerol. 2-hydroxypropyl-β-cyclodextrin (CD), was also employed as an enhancer of the extraction, since cyclodextrins (CD's) are known to improve the extractability of olive leaf polyphenols by forming water soluble inclusion complexes. The process was optimized by implementing a central composite (Box-Behnken) experimental design and response surface methodology, taking into consideration the following independent variables: glycerol concentration (Cgl), CD concentration (CCD) and temperature (T). The evaluation of the extraction model was based on two responses: the total polyphenol yield (YTP) and the antiradical activity (AAR). Optimum values for the extraction process were obtained at 60% (w/v) glycerol content, T = 60 °C and 7% (w/v) CD content. LC-MS analysis was also applied in order to characterize the polyphenolic composition of extracts containing cyclodextrins. The main polyphenols present were oleuropein and oleuropein derivatives. Olive leaf aqueous extracts containing glycerol and cyclodextrins may be used as raw materials/ingredients for several end-users in the food, cosmetic and pharmaceutical industries.

  17. Rapid freeze-drying cycle optimization using computer programs developed based on heat and mass transfer models and facilitated by tunable diode laser absorption spectroscopy (TDLAS).

    PubMed

    Kuu, Wei Y; Nail, Steven L

    2009-09-01

    Computer programs in FORTRAN were developed to rapidly determine the optimal shelf temperature, T(f), and chamber pressure, P(c), to achieve the shortest primary drying time. The constraint for the optimization is to ensure that the product temperature profile, T(b), is below the target temperature, T(target). Five percent mannitol was chosen as the model formulation. After obtaining the optimal sets of T(f) and P(c), each cycle was assigned with a cycle rank number in terms of the length of drying time. Further optimization was achieved by dividing the drying time into a series of ramping steps for T(f), in a cascading manner (termed the cascading T(f) cycle), to further shorten the cycle time. For the purpose of demonstrating the validity of the optimized T(f) and P(c), four cycles with different predicted lengths of drying time, along with the cascading T(f) cycle, were chosen for experimental cycle runs. Tunable diode laser absorption spectroscopy (TDLAS) was used to continuously measure the sublimation rate. As predicted, maximum product temperatures were controlled slightly below the target temperature of -25 degrees C, and the cascading T(f)-ramping cycle is the most efficient cycle design. In addition, the experimental cycle rank order closely matches with that determined by modeling.

  18. Maximum equivalent power output and performance optimization analysis of an alkaline fuel cell/heat-driven cycle hybrid system

    NASA Astrophysics Data System (ADS)

    Zhang, Xiuqin; Chen, Jincan

    A generic model of the hybrid system consisting of an alkaline fuel cell (AFC) and a heat-driven cycle, which may work as either a refrigerator or a heat pump, is originally established. On the basis of the models of AFCs and three-heat-reservoir cycles, the equivalent power output and efficiency of the hybrid system are obtained. The performance characteristic curves of the hybrid system are represented through numerical calculation. The maximum equivalent power output and efficiency of the hybrid system are determined. Problems concerning the optimal operation of the hybrid system are discussed. The effects of the main irreversible losses on the performance of the hybrid system are investigated in detail. It is important to note that the waste heat produced in the AFC can be readily used in such a hybrid cycle.

  19. Performance assessment and optimization of an irreversible nano-scale Stirling engine cycle operating with Maxwell-Boltzmann gas

    NASA Astrophysics Data System (ADS)

    Ahmadi, Mohammad H.; Ahmadi, Mohammad-Ali; Pourfayaz, Fathollah

    2015-09-01

    Developing new technologies like nano-technology improves the performance of the energy industries. Consequently, emerging new groups of thermal cycles in nano-scale can revolutionize the energy systems' future. This paper presents a thermo-dynamical study of a nano-scale irreversible Stirling engine cycle with the aim of optimizing the performance of the Stirling engine cycle. In the Stirling engine cycle the working fluid is an Ideal Maxwell-Boltzmann gas. Moreover, two different strategies are proposed for a multi-objective optimization issue, and the outcomes of each strategy are evaluated separately. The first strategy is proposed to maximize the ecological coefficient of performance (ECOP), the dimensionless ecological function (ecf) and the dimensionless thermo-economic objective function ( F . Furthermore, the second strategy is suggested to maximize the thermal efficiency ( η), the dimensionless ecological function (ecf) and the dimensionless thermo-economic objective function ( F). All the strategies in the present work are executed via a multi-objective evolutionary algorithms based on NSGA∥ method. Finally, to achieve the final answer in each strategy, three well-known decision makers are executed. Lastly, deviations of the outcomes gained in each strategy and each decision maker are evaluated separately.

  20. CHALLENGES AND OPPORTUNITIES--INTEGRATED LIFE-CYCLE OPTIMIZATION INITIATIVES FOR THE HANFORD RIVER PROTECTION PROJECT--WASTE TREATMENT PLANT

    SciTech Connect

    Auclair, K. D.

    2002-02-25

    This paper describes the ongoing integrated life-cycle optimization efforts to achieve both design flexibility and design stability for activities associated with the Waste Treatment Plant at Hanford. Design flexibility is required to support the Department of Energy Office of River Protection Balance of Mission objectives, and design stability to meet the Waste Treatment Plant construction and commissioning requirements in order to produce first glass in 2007. The Waste Treatment Plant is a large complex project that is driven by both technology and contractual requirements. It is also part of a larger overall mission, as a component of the River Protection Project, which is driven by programmatic requirements and regulatory, legal, and fiscal constraints. These issues are further complicated by the fact that both of the major contractors involved have a different contract type with DOE, and neither has a contract with the other. This combination of technical and programmatic drivers, constraints, and requirements will continue to provide challenges and opportunities for improvement and optimization. The Bechtel National, Inc. team is under contract to engineer, procure, construct, commission and test the Waste Treatment Plant on or ahead of schedule, at or under cost, and with a throughput capacity equal to or better than specified. The Department of Energy is tasked with the long term mission of waste retrieval, treatment, and disposal. While each mission is a compliment and inextricably linked to one another, they are also at opposite ends of the spectrum, in terms of expectations of one another. These mission requirements, that are seemingly in opposition to one another, pose the single largest challenge and opportunity for optimization: one of balance. While it is recognized that design maturation and optimization are the normal responsibility of any engineering firm responsible for any given project, the aspects of integrating requirements and the management

  1. Entransy analysis and optimization of performance of nano-scale irreversible Otto cycle operating with Maxwell-Boltzmann ideal gas

    NASA Astrophysics Data System (ADS)

    Ahmadi, Mohammad H.; Ahmadi, Mohammad Ali; Pourfayaz, Fathollah; Bidi, Mokhtar

    2016-08-01

    This paper made attempt to investigate thermodynamically a nano scale irreversible Otto cycle for optimizing its performance. This system employed an ideal Maxwell-Boltzmann gas as a working fluid. Two different scenarios were proposed in the multi-objective optimization process and the results of each of the scenarios were examined separately. The first scenario made attempt to maximize the dimensionless ecological function and minimize the dimensionless entransy dissipation of the system. Furthermore, the second scenario tried to maximize the ecological coefficient of performance and minimize the dimensionless entransy dissipation of the system. The multi objective evolutionary method integrated with non-dominated sorting genetic algorithm was used to optimize the proposed objective functions. To determine the final output of each scenario, three efficient decision makers were employed. Finally, error analysis was employed to determine the deviation of solutions chosen by decision makers.

  2. Optimized purification of a fusion protein by reversed-phase high performance liquid chromatography informed by the linear solvent strength model.

    PubMed

    Falconer, Isaac B; Mant, Colin T; McKnight, C James; Vugmeyster, Liliya; Hodges, Robert

    2017-10-27

    Fusion protein systems are commonly used for expression of small proteins and peptides. An important criterion for a fusion protein system to be useful is the ability to separate the protein of interest from the tag. Additionally, because no protease cleaves fusion proteins with 100% efficiency, the ability to separate the desired peptide from any remaining uncleaved protein is also necessary. This is likely to be the more difficult task as at least a portion of the sequence of the fusion protein is identical to that of the protein of interest. When a high level of purity is required, gradient elution reversed-phase HPLC is frequently used as a final purification step. Shallow gradients are often advantageous for maximizing both the purity and yield of the final product; however, the relationship between relative retention times at shallow gradients and those at steeper gradients typically used for analytical HPLC are not always straightforward. In this work, we report reversed-phase HPLC results for the fusion protein system consisting of the N-terminal domain of ribosomal protein L9 (NTL9) and the 36-residue villin headpiece subdomain (HP36) linked by a recognition sequence for the protease factor Xa. This system represents an excellent example of the difficulties in purification that may arise from this unexpected elution behavior at shallow gradients. Additionally, we report on the sensitivity of this elution behavior to the concentration of the additive trifluoroacetic acid in the mobile phase and present optimized conditions for separating HP36 from the full fusion protein by reversed-phase HPLC using a shallow gradient. Finally, we suggest that these findings are relevant to the purification of other fusion protein systems, for which similar problems may arise, and support this suggestion using insights from the linear solvent strength model of gradient elution liquid chromatography. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Optimized Supercritical Fluid Refrigeration Cycle for Venus Lander Payload Electronics Active Cooling

    NASA Astrophysics Data System (ADS)

    Anderson, K. R.; McNamara, C.; Gatti, A.; Guererro, J.

    2017-05-01

    This paper presents an active electronics thermal control system allowing for continuous operation of instruments for Venus lander missions. The thermal control system uses supercritical fluids cascaded and optimized for minimum compressor power.

  4. Optimization of Intermittent Hyperbaric Oxygen Exposures by Duration of Oxygen Cycles

    DTIC Science & Technology

    2012-01-01

    in this study gave calibration volumes of 0.0098 ml/mV at 1 ATA and 0.0028 ml/mV under pressure, respectively. The hyperbaric chambers were...Journal of Experimental and Integrative Medicine 2012; 0(0):0-0 www.jeim.org 1 Optimization of intermittent hyperbaric oxygen exposures by...against CNS and pulmonary hyperbaric oxygen (HBO2) toxicity, however exact mechanisms of protection are not known. This study was designed to optimize

  5. Optimal synthesis and design of the number of cycles in the leaching process for surimi production.

    PubMed

    Reinheimer, M Agustina; Scenna, Nicolás J; Mussati, Sergio F

    2016-12-01

    Water consumption required during the leaching stage in the surimi manufacturing process strongly depends on the design and the number and size of stages connected in series for the soluble protein extraction target, and it is considered as the main contributor to the operating costs. Therefore, the optimal synthesis and design of the leaching stage is essential to minimize the total annual cost. In this study, a mathematical optimization model for the optimal design of the leaching operation is presented. Precisely, a detailed Mixed Integer Nonlinear Programming (MINLP) model including operating and geometric constraints was developed based on our previous optimization model (NLP model). Aspects about quality, water consumption and main operating parameters were considered. The minimization of total annual costs, which considered a trade-off between investment and operating costs, led to an optimal solution with lesser number of stages (2 instead of 3 stages) and higher volumes of the leaching tanks comparing with previous results. An analysis was performed in order to investigate how the optimal solution was influenced by the variations of the unitary cost of fresh water, waste treatment and capital investment.

  6. Optimizing the Wingate Anaerobic Cycling Test for youth with juvenile idiopathic arthritis.

    PubMed

    Obeid, Joyce; Larché, Maggie J; Timmons, Brian W

    2011-08-01

    The Wingate Anaerobic Test (WAnT) can assess muscle function in youth with juvenile idiopathic arthritis (JIA). Our objective was to compare peak power (PP) and mean power (MP) when the WAnT is performed with a standard vs. an optimized braking force. Eight patients with JIA between the ages of 8 and 18 participated in two sessions. Optimal braking force was determined with a series of 15-s force-velocity tests performed against braking forces ranging from 3.5 to 8.5% of body weight. Participants then performed two randomized WAnTs against the standard (4.5%) and optimal braking forces. PP tended to be greater in the optimized vs. standard WAnT (12.5 ± 2.6 vs. 10.8 ± 1.0 W/kg, respectively; p = .07). No differences were observed for MP (standard: 6.2 ± 0.9 vs. optimized: 6.2 ± 1.1 W/kg; p = .9). Optimization of the WAnT tended to increase PP by 10-28% in youth with JIA.

  7. The effect of noise constraints on engine cycle optimization for long-haul transports

    NASA Technical Reports Server (NTRS)

    Antl, R. J.

    1973-01-01

    Results are presented of NASA studies to determine optimum engine cycles for noise levels of 10, 15, and 20 EPNdb below current FAA regulations. The study aircraft were 200-passenger trijets flying over ranges of 5,556 and 10,200 km at cruise speeds of Mach 0.90 to 0.98. The economic impact of reducing noise, the identification of needed advanced technology and the effect of these advances are presented. The studies showed that the noise constraints imposed compromises on the optimum cycle with resulting economic penalties. The application of advanced engine technologies, however, could effectively offset these economic penalties.

  8. Aminosilicone solvents for CO(2) capture.

    PubMed

    Perry, Robert J; Grocela-Rocha, Teresa A; O'Brien, Michael J; Genovese, Sarah; Wood, Benjamin R; Lewis, Larry N; Lam, Hubert; Soloveichik, Grigorii; Rubinsztajn, Malgorzata; Kniajanski, Sergei; Draper, Sam; Enick, Robert M; Johnson, J Karl; Xie, Hong-bin; Tapriyal, Deepak

    2010-08-23

    This work describes the first report of the use of an aminosilicone solvent mix for the capture of CO(2). To maintain a liquid state, a hydroxyether co-solvent was employed which allowed enhanced physisorption of CO(2) in the solvent mixture. Regeneration of the capture solvent system was demonstrated over 6 cycles and absorption isotherms indicate a 25-50 % increase in dynamic CO(2) capacity over 30 % MEA. In addition, proof of concept for continuous CO(2) absorption was verified. Additionally, modeling to predict heats of reaction of aminosilicone solvents with CO(2) was in good agreement with experimental results.

  9. Optimizing revenue cycle performance before, during, and after an EHR implementation.

    PubMed

    Schuler, Margaret; Berkebile, Jane; Vallozzi, Amanda

    2016-06-01

    An electronic health record implementation brings risks of adverse revenue cycle activity. Hospitals and health systems can mitigate that risk by taking aproactive, three-phase approach: Identify potential issues prior to implementation. Create teams to oversee operations during implementation. Hold regular meetings after implementation to ensure the system is running smoothly.

  10. Method of optimizing performance of Rankine cycle power plants. [US DOE Patent

    DOEpatents

    Pope, W.L.; Pines, H.S.; Doyle, P.A.; Silvester, L.F.

    1980-06-23

    A method is described for efficiently operating a Rankine cycle power plant to maximize fuel utilization efficiency or energy conversion efficiency or minimize costs by selecting a turbine fluid inlet state which is substantially on the area adjacent and including the transposed critical temperature line.

  11. Startup optimization of a combined cycle power plant based on cooperative fuzzy reasoning and a neural network

    SciTech Connect

    Matsumoto, H.; Ohsawa, Y.; Takahashi, S.; Akiyama, T.; Hanaoka, H.; Ishiguro, O.

    1997-03-01

    A startup optimization control system for a gas and steam turbine combined cycle power plant is developed. The system can minimize startup time of the plant through cooperative fuzzy reasoning and a neural network autonomously adapting to varying process dynamics due to varying operational conditions, i.e. the ambient temperature and humidity. The operational conditions are taken into consideration by the neural network with a learning mechanism to optimize the schedule. The system is applied to a simulation for a plant with a three pressure staged reheat type 235.7 MW rated capacity, and the following points are seen: (1) the system can harmonize machines operations making good use of the operational margins, i.e. machine thermal stress and NOx emission; (2) startup time and energy loss are reduced by 35.6% and 26.3%, respectively, compared with the conventional off-line startup scheduling method.

  12. Efficiency enhancement for natural gas liquefaction with CO2 capture and sequestration through cycles innovation and process optimization

    NASA Astrophysics Data System (ADS)

    Alabdulkarem, Abdullah

    Liquefied natural gas (LNG) plants are energy intensive. As a result, the power plants operating these LNG plants emit high amounts of CO2 . To mitigate global warming that is caused by the increase in atmospheric CO2, CO2 capture and sequestration (CCS) using amine absorption is proposed. However, the major challenge of implementing this CCS system is the associated power requirement, increasing power consumption by about 15--25%. Therefore, the main scope of this work is to tackle this challenge by minimizing CCS power consumption as well as that of the entire LNG plant though system integration and rigorous optimization. The power consumption of the LNG plant was reduced through improving the process of liquefaction itself. In this work, a genetic algorithm (GA) was used to optimize a propane pre-cooled mixed-refrigerant (C3-MR) LNG plant modeled using HYSYS software. An optimization platform coupling Matlab with HYSYS was developed. New refrigerant mixtures were found, with savings in power consumption as high as 13%. LNG plants optimization with variable natural gas feed compositions was addressed and the solution was proposed through applying robust optimization techniques, resulting in a robust refrigerant which can liquefy a range of natural gas feeds. The second approach for reducing the power consumption is through process integration and waste heat utilization in the integrated CCS system. Four waste heat sources and six potential uses were uncovered and evaluated using HYSYS software. The developed models were verified against experimental data from the literature with good agreement. Net available power enhancement in one of the proposed CCS configuration is 16% more than the conventional CCS configuration. To reduce the CO2 pressurization power into a well for enhanced oil recovery (EOR) applications, five CO2 pressurization methods were explored. New CO2 liquefaction cycles were developed and modeled using HYSYS software. One of the developed

  13. Exergoeconomic analysis and optimization of an evaporator for a binary mixture of fluids in an organic Rankine cycle

    NASA Astrophysics Data System (ADS)

    Li, You-Rong; Du, Mei-Tang; Wang, Jian-Ning

    2012-12-01

    This paper focuses on the research of an evaporator with a binary mixture of organic working fluids in the organic Rankine cycle. Exergoeconomic analysis and performance optimization were performed based on the first and second laws of thermodynamics, and the exergoeconomic theory. The annual total cost per unit heat transfer rate was introduced as the objective function. In this model, the exergy loss cost caused by the heat transfer irreversibility and the capital cost were taken into account; however, the exergy loss due to the frictional pressure drops, heat dissipation to surroundings, and the flow imbalance were neglected. The variation laws of the annual total cost with respect to the number of transfer units and the temperature ratios were presented. Optimal design parameters that minimize the objective function had been obtained, and the effects of some important dimensionless parameters on the optimal performances had also been discussed for three types of evaporator flow arrangements. In addition, optimal design parameters of evaporators were compared with those of condensers.

  14. Optimization of the Working Cycle for an Underwater Propulsion System Based on Aluminium-Water Combustion

    NASA Astrophysics Data System (ADS)

    Chen, Xianhe; Xia, Zhixun; Huang, Liya; Hu, Jianxin

    2017-05-01

    The working cycle of a novel underwater propulsion system based on aluminium combustion with water is researched in order to evaluate the best performance. The system exploits the exothermic reaction between aluminium and water which will produce high temperature, pressure steam and hydrogen mixture that can be used to drive turbine to generate power. Several new system configurations corresponding to different working cycles are investigated, and their performance parameters in terms of net power, energy density and global efficiency are discussed. The results of the system simulation show that using the recirculation steam rather than hydrogen as the carrier gas, the system net power, energy density and efficiency of the system are greatly increased compared, however the system performance is close either using adiabatic compression or isothermal compression. And if an evaporator component is added into system in order to take full use of the solid product heat, the system performance will be improved.

  15. Cyst and encystment in protozoan parasites: optimal targets for new life-cycle interrupting strategies?

    PubMed

    Aguilar-Díaz, Hugo; Carrero, Julio César; Argüello-García, Raúl; Laclette, Juan Pedro; Morales-Montor, Jorge

    2011-10-01

    Certain protozoan parasites use survival strategies to reside outside the host such as the formation of cysts. This dormant and resistant stage results from the complex process of encystment that involves diverse molecular and cellular modifications. The stimuli and changes associated with cyst biogenesis are a matter of ongoing studies in human and animal protozoan parasites such as amoeba and Giardia species because blocking every step in the encystment pathway should, in theory, interrupt their life cycles. The present review thoroughly examines this essential process in those protozoan parasites and discusses the possibility of using that information to develop new kinds of anti-parasite specific and life cycle-interrupting drugs, aimed at holding back the dissemination of these infections. Copyright © 2011 Elsevier Ltd. All rights reserved.

  16. Optimization of the thermodynamic cycles of a collective heating power station

    NASA Astrophysics Data System (ADS)

    Hausmann, G.

    The optimization of the centralized heating system of a city was studied. Modifications of the heating circuit increase the electric power characteristic from 0.20 to 0.37. A program for the calculation of the changes in the thermodynamic cyclic due to these modifications is presented.

  17. Optimization of an accelerated solvent extraction dispersive liquid-liquid microextraction method for the separation and determination of essential oil from Ligusticum chuanxiong Hort by gas chromatography with mass spectrometry.

    PubMed

    Yang, Guang; Sun, Qiushi; Hu, Zhiyan; Liu, Hua; Zhou, Tingting; Fan, Guorong

    2015-10-01

    In this study, an accelerated solvent extraction dispersive liquid-liquid microextraction coupled with gas chromatography and mass spectrometry was established and employed for the extraction, concentration and analysis of essential oil constituents from Ligusticum chuanxiong Hort. Response surface methodology was performed to optimize the key parameters in accelerated solvent extraction on the extraction efficiency, and key parameters in dispersive liquid-liquid microextraction were discussed as well. Two representative constituents in Ligusticum chuanxiong Hort, (Z)-ligustilide and n-butylphthalide, were quantitatively analyzed. It was shown that the qualitative result of the accelerated solvent extraction dispersive liquid-liquid microextraction approach was in good agreement with that of hydro-distillation, whereas the proposed approach took far less extraction time (30 min), consumed less plant material (usually <1 g, 0.01 g for this study) and solvent (<20 mL) than the conventional system. To sum up, the proposed method could be recommended as a new approach in the extraction and analysis of essential oil. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Development and optimization of a naphthoic acid-based ionic liquid as a "non-organic solvent microextraction" for the determination of tetracycline antibiotics in milk and chicken eggs.

    PubMed

    Gao, Jiajia; Wang, Hui; Qu, Jingang; Wang, Huili; Wang, Xuedong

    2017-01-15

    In traditional ionic liquids (ILs)-based microextraction, ILs are often used as extraction and dispersive solvents; however, their functional effects are not fully utilized. Herein, we developed a novel ionic liquid 1-butyl-3-methylimidazolium naphthoic acid salt ([C4MIM][NPA]) with strong acidity. It was used as a mixed dispersive solvent with conventional [C2MIM][BF4] in "functionalized ionic liquid-based non-organic solvent microextraction (FIL-NOSM)" for determination of tetracycline antibiotics (TCs) in milk and eggs. Utilization of [C4MIM][NPA] in FIL-NOSM method increased extraction recoveries (ERs) of TCs by more than 20% and eliminated the pH adjustment step because of its strong acidity. Under optimized conditions based on central composite design, the ERs of four TCs were 94.1-102.1%, and the limitsofdetection were 0.08-1.12μgkg(-1) in milk and egg samples. This proposed method provides high extraction efficiency, less pretreatment time and requires non-organic solvents for determination of trace TC concentrations in complex animal-based food matrices.

  19. Optimization of phosphatase- and redox cycling-based immunosensors and its application to ultrasensitive detection of troponin I.

    PubMed

    Akanda, Md Rajibul; Aziz, Md Abdul; Jo, Kyungmin; Tamilavan, Vellaiappillai; Hyun, Myung Ho; Kim, Sinyoung; Yang, Haesik

    2011-05-15

    The authors herein report optimized conditions for ultrasensitive phosphatase-based immunosensors (using redox cycling by a reducing agent) that can be simply prepared and readily applied to microfabricated electrodes. The optimized conditions were applied to the ultrasensitive detection of cardiac troponin I in human serum. The preparation of an immunosensing layer was based on passive adsorption of avidin (in carbonate buffer (pH 9.6)) onto indium-tin oxide (ITO) electrodes. The immunosensing layer allows very low levels of nonspecific binding of proteins. The optimum conditions for the enzymatic reaction were investigated in terms of the type of buffer solution, temperature, and concentration of MgCl(2), and the optimum conditions for antigen-antibody binding were determined in terms of incubation time, temperature, and concentration of phosphatase-conjugated IgG. Very importantly, the antigen-antibody binding at 4 °C is extremely important in obtaining reproducible results. Among the four phosphatase substrates (L-ascorbic acid 2-phosphate (AAP), 4-aminophenyl phosphate, 1-naphthyl phosphate, 4-amino-1-naphthyl phosphate) and four phosphatase products (L-ascorbic acid (AA), 4-aminophenol, 1-naphthol, 4-amino-1-naphthol), AAP and AA meet the requirements most for obtaining easy dissolution and high signal-to-background ratios. More importantly, fast AA electrooxidation at the ITO electrodes does not require modification with any electrocatalyst or electron mediator. Furthermore, tris(2-carboxyethyl)phosphine (TCEP) as a reducing agent allows fast redox cycling, along with very low anodic currents at the ITO electrodes. Under these optimized conditions, the detection limit of an immunosensor for troponin I obtained without redox cycling of AA by TCEP is ca. 100 fg/mL, and with redox cycling it is ca. 10 fg/mL. A detection limit of 10 fg/mL was also obtained even when an immunosensing layer was simply formed on a micropatterned ITO electrode. From a practical

  20. Optimal control of a remanufacturing system with consideration for product life cycle

    NASA Astrophysics Data System (ADS)

    Nakashima, Kenichi; Gupta, Surendra M.

    2004-02-01

    This paper deals with the cost management problem of a remanufacturing system with stochastic variability in the demand rate, the remanufacturing rate and the discard rate. We consider two types of inventories. One is the actual product inventory in the factory while the other is the virtual inventory that is still in use by the consumers. The state of the remanufacturing system is defined by considering the levels of both inventories. The cost function is composed of various costs such as the holding cost, backlogging cost and other manufacturing costs. We obtain the optimal production policy that minimizes the expected average cost per period. Numerical results provide insights on the effects of the various costs on the optimal policy.

  1. Solvent degradation products in nuclear fuel processing solvents

    SciTech Connect

    Shook, H.E. Jr.

    1988-06-01

    The Savannah River Plant uses a modified Purex process to recover enriched uranium and separate fission products. This process uses 7.5% tri-n-butyl phosphate (TBP) dissolved in normal paraffin hydrocarbons for the solvent extraction of a nitric acid solution containing the materials to be separated. Periodic problems in product decontamination result from solvent degradation. A study to improve process efficiency has identified certain solvent degradation products and suggested mitigation measures. Undecanoic acid, lauric acid, and tridecanoic acid were tentatively identified as diluent degradation products in recycle solvent. These long-chain organic acids affect phase separation and lead to low decontamination factors. Solid phase extraction (SPE) was used to concentrate the organic acids in solvent prior to analysis by high performance liquid chromatography (HPLC). SPE and HPLC methods were optimized in this work for analysis of decanoic acid, undecanoic acid, and lauric acid in solvent. Accelerated solvent degradation studies with 7.5% TBP in normal paraffin hydrocarbons showed that long-chain organic acids and long-chain alkyl butyl phosphoric acids are formed by reactions with nitric acid. Degradation of both tributyl phosphate and hydrocarbon can be minimized with purified normal paraffin replacing the standard grade presently used. 12 refs., 1 fig., 3 tabs.

  2. Optimized Stem Cell Detection Using the DyeCycle-Triggered Side Population Phenotype.

    PubMed

    Boesch, Maximilian; Wolf, Dominik; Sopper, Sieghart

    2016-01-01

    Tissue and cancer stem cells are highly attractive target populations for regenerative medicine and novel potentially curative anticancer therapeutics. In order to get a better understanding of stem cell biology and function, it is essential to reproducibly identify these stem cells from biological samples for subsequent characterization or isolation. ABC drug transporter expression is a hallmark of stem cells. This is utilized to identify (cancer) stem cells by exploiting their dye extrusion properties, which is referred to as the "side population assay." Initially described for high-end flow cytometers equipped with ultraviolet lasers, this technique is now also amenable for a broader scientific community, owing to the increasing availability of violet laser-furnished cytometers and the advent of DyeCycle Violet (DCV). Here, we describe important technical aspects of the DCV-based side population assay and discuss potential pitfalls and caveats helping scientists to establish a valid and reproducible DCV-based side population assay. In addition, we investigate the suitability of blue laser-excitable DyeCycle dyes for side population detection. This knowledge will help to improve and standardize detection and isolation of stem cells based on their expression of ABC drug transporters.

  3. Universal power optimized work for reciprocating internally reversible Stirling-like heat engine cycles with regeneration and linear external heat transfer

    NASA Astrophysics Data System (ADS)

    Blank, David A.

    1998-09-01

    When bounded by two infinite thermal reservoirs, the theory of irreversible thermodynamics for reciprocating externally irreversible cycles yields to an optimum efficiency at maximum power output of η=1-(TL/TH)0.5 for internally reversible Stirling-like cycles using regeneration and linear heat transfer modes is in contrast to the upper limit for Stirling cycles of η=1-(TL/TH) obtained from classical thermodynamics. This optimum behavior is, however, only based on cycle temperature bounds. For reciprocating cycles one must go a step further and minimize cycle time. While executing this new step for finite thermal reservoirs, it was discovered that, for the general family of reciprocating Stirling-like cycles, the finite-time optimum work output (Wopt) at maximum power is less than (and in the limit of ideal regeneration, infinite reservoirs and of no internal irreversibility, is equal to) exactly one-half of the work of the externally reversible cycle operating at maximum thermal efficiency (Carnot work, Wrev) between the same temperature limits (i.e., Wopt⩽1/2Wrev). To accomplish this the analysis goes beyond earlier works to use time symmetry to better optimize overall cycle power. Because this procedure results in the concurrent employment of the first and second laws of thermodynamics, it ensures optimal allocation of thermal conductances at the hot and cold ends while simultaneously achieving both minimization of internal entropy generation and maximization of specific cycle work for a given set of operating temperatures. Based on linear heat transfer laws, this expression for optimum work is shown to be independent of heat conductances. Finally, the analysis establishes that the maximum power attainable for a Stirling-like reciprocating cycle operating between two temperature bounds is always less than (and in the limit of power optimized Carnot conditions, equal to) one-half of that obtained for the continuous counterpart of the same cycle operating

  4. Optimal Access to NASA Water Cycle Data for Water Resources Management

    NASA Astrophysics Data System (ADS)

    Teng, W. L.; Arctur, D. K.; Espinoza, G. E.; Rui, H.; Strub, R. F.; Vollmer, B.

    2016-12-01

    A "Digital Divide" in data representation exists between the preferred way of data access by the hydrology community (i.e., as time series of discrete spatial objects) and the common way of data archival by earth science data centers (i.e., as continuous spatial fields, one file per time step). This Divide has been an obstacle, specifically, between the Consortium of Universities for the Advancement of Hydrologic Science, Inc. Hydrologic Information System (CUAHSI HIS) and NASA Goddard Earth Sciences Data and Information Services Center (GES DISC). An optimal approach to bridging the Divide, developed by the GES DISC, is to reorganize data from the way they are archived to some way that is optimal for the desired method of data access. Specifically for CUAHSI HIS, selected data sets were reorganized into time series files, one per geographical "point." These time series files, termed "data rods," are pre-generated or virtual (generated on-the-fly). Data sets available as data rods include North American Land Data Assimilation System (NLDAS), Global Land Data Assimilation System (GLDAS), TRMM Multi-satellite Precipitation Analysis (TMPA), Land Parameter Retrieval Model (LPRM), Modern-Era Retrospective Analysis for Research and Applications (MERRA)-Land, and Groundwater and Soil Moisture Conditions from Gravity Recovery and Climate Experiment (GRACE) Data Assimilation drought indicators for North America Drought Monitor (GRACE-DA-DM). In order to easily avail the operational water resources community the benefits of optimally reorganized data, we have developed multiple methods of making these data more easily accessible and usable. These include direct access via RESTful Web services, a browser-based Web map and statistical tool for selected NLDAS variables for the U.S. (CONUS), a HydroShare app (Data Rods Explorer, under development) on the Tethys Platform, and access via the GEOSS Portal. Examples of drought-related applications of these data and data access

  5. Design and optimization of organic rankine cycle for low temperature geothermal power plant

    NASA Astrophysics Data System (ADS)

    Barse, Kirtipal A.

    Rising oil prices and environmental concerns have increased attention to renewable energy. Geothermal energy is a very attractive source of renewable energy. Although low temperature resources (90°C to 150°C) are the most common and most abundant source of geothermal energy, they were not considered economical and technologically feasible for commercial power generation. Organic Rankine Cycle (ORC) technology makes it feasible to use low temperature resources to generate power by using low boiling temperature organic liquids. The first hypothesis for this research is that using ORC is technologically and economically feasible to generate electricity from low temperature geothermal resources. The second hypothesis for this research is redesigning the ORC system for the given resource condition will improve efficiency along with improving economics. ORC model was developed using process simulator and validated with the data obtained from Chena Hot Springs, Alaska. A correlation was observed between the critical temperature of the working fluid and the efficiency for the cycle. Exergy analysis of the cycle revealed that the highest exergy destruction occurs in evaporator followed by condenser, turbine and working fluid pump for the base case scenarios. Performance of ORC was studied using twelve working fluids in base, Internal Heat Exchanger and turbine bleeding constrained and non-constrained configurations. R601a, R245ca, R600 showed highest first and second law efficiency in the non-constrained IHX configuration. The highest net power was observed for R245ca, R601a and R601 working fluids in the non-constrained base configuration. Combined heat exchanger area and size parameter of the turbine showed an increasing trend as the critical temperature of the working fluid decreased. The lowest levelized cost of electricity was observed for R245ca followed by R601a, R236ea in non-constrained base configuration. The next best candidates in terms of LCOE were R601a, R

  6. In-situ transesterification of seeds of invasive Chinese tallow trees (Triadica sebifera L.) in a microwave batch system (GREEN(3)) using hexane as co-solvent: Biodiesel production and process optimization.

    PubMed

    Barekati-Goudarzi, Mohamad; Boldor, Dorin; Nde, Divine B

    2016-02-01

    In-situ transesterification (simultaneous extraction and transesterification) of Chinese tallow tree seeds into methyl esters using a batch microwave system was investigated in this study. A high degree of oil extraction and efficient conversion of oil to biodiesel were found in the proposed range. The process was further optimized in terms of product yields and conversion rates using Doehlert optimization methodology. Based on the experimental results and statistical analysis, the optimal production yield conditions for this process were determined as: catalyst concentration of 1.74wt.%, solvent ratio about 3 (v/w), reaction time of 20min and temperature of 58.1°C. H(+)NMR was used to calculate reaction conversion. All methyl esters produced using this method met ASTM biodiesel quality specifications. Copyright © 2015 Elsevier Ltd. All rights reserved.

  7. Optimization of the oxidant supply system for combined cycle MHD power plants

    NASA Technical Reports Server (NTRS)

    Juhasz, A. J.

    1982-01-01

    An in-depth study was conducted to determine what, if any, improvements could be made on the oxidant supply system for combined cycle MHD power plants which could be reflected in higher thermal efficiency and a reduction in the cost of electricity, COE. A systematic analysis of air separation process varitions which showed that the specific energy consumption could be minimized when the product stream oxygen concentration is about 70 mole percent was conducted. The use of advanced air compressors, having variable speed and guide vane position control, results in additional power savings. The study also led to the conceptual design of a new air separation process, sized for a 500 MW sub e MHD plant, referred to a internal compression is discussed. In addition to its lower overall energy consumption, potential capital cost savings were identified for air separation plants using this process when constructed in a single large air separation train rather than multiple parallel trains, typical of conventional practice.

  8. Optimal Management of Water, Nutrient and Carbon Cycles of Green Urban Spaces

    NASA Astrophysics Data System (ADS)

    Revelli, R.; Pelak, N. F., III; Porporato, A. M.

    2016-12-01

    The urban ecosystem is a complex, metastable system with highly coupled flows of mass, energy, people and capital. Their sustainability is in part linked to the existence of green spaces which provide important ecosystem services, whose sustainable management requires quantification of their benefits in terms of impacts on water, carbon and energy fluxes. An exploration of problems of optimal management of such green urban spaces and the related biogeochemical fluxes is presented, extending probabilistic ecohydrological models of the soil-plant system to the urban context, where biophysical and ecological conditions tend to be radically different from the surrounding rural and natural environment (e.g. heat islands, air and water pollution, low quality soils, etc…). The coupled soil moisture, nutrient and plant dynamics are modeled to compute water requirements, carbon footprint, nutrient demand and losses, and related fluxes under different design, management and climate scenarios. The goal is to provide operative rules for a sustainable water use through focused irrigation and fertilization strategies, optimal choice of plants, soil and cultivation conditions, accounting for the typical hydroclimatic variability that occur in the urban environment. This work is part of a project that has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 701914. The work is also cofounded by USDA Agricultural Research Service cooperative agreement 58-6408-3-027; National Science Foundation (NSF) grants: EAR-1331846, EAR-1316258, and the DGE-1068871 and FESD EAR-1338694.

  9. Evaluation of the Hydraulic Capacity and Mass Transfer Efficiency of the CSSX Process with the Optimized Solvent in a Single Stage of 5.5-cm-Diameter Centrifugal Contactor

    SciTech Connect

    Law, Jack Douglas; Tillotson, Richard Dean; Todd, Terry Allen

    2002-09-01

    The Caustic-Side Solvent Extraction (CSSX) process has been selected for the separation of cesium from Savannah River Site high-level waste. The solvent composition used in the CSSX process was recently optimized so that the solvent is no longer supersaturated with respect to the calixarene crown ether extractant. Hydraulic performance and mass transfer efficiency testing of a single stage of 5.5-cm ORNL-designed centrifugal contactor has been performed for the CSSX process with the optimized solvent. Maximum throughputs of the 5.5-cm centrifugal contactor, as a function of contactor rotor speed, have been measured for the extraction, scrub, strip, and wash sections of the CSSX flowsheet at the baseline organic/aqueous flow ratios (O/A) of the process, as well as at O/A’s 20% higher and 20% lower than the baseline. Maximum throughputs are comparable to the design throughput of the contactor, as well as with throughputs obtained previously in a 5-cm centrifugal contactor with the non-optimized CSSX solvent formulation. The 20% variation in O/A had minimal effect on contactor throughput. Additionally, mass transfer efficiencies have been determined for the extraction and strip sections of the flowsheet. Efficiencies were lower than the process goal of greater than or equal to 80%, ranging from 72 to 75% for the extraction section and from 36 to 60% in the strip section. Increasing the mixing intensity and/or the solution level in the mixing zone of the centrifugal contactor (residence time) could potentially increase efficiencies. Several methods are available to accomplish this including (1) increasing the size of the opening in the bottom of the rotor, resulting in a contactor which is partially pumping instead of fully pumping, (2) decreasing the number of vanes in the contactor, (3) increasing the vane height, or (4) adding vanes on the rotor and baffles on the housing of the contactor. The low efficiency results obtained stress the importance of proper design

  10. Evaluation of the Hydraulic Performance and Mass Transfer Efficiency of the CSSX Process with the Optimized Solvent in a Single Stage of 5.5-Cm Diameter Centrifugal Contactor

    SciTech Connect

    Law, J.D.; Tillotson, R.D.; Todd, T.A.

    2002-09-19

    The Caustic-Side Solvent Extraction (CSSX) process has been selected for the separation of cesium from Savannah River Site high-level waste. The solvent composition used in the CSSX process was recently optimized so that the solvent is no longer supersaturated with respect to the calixarene crown ether extractant. Hydraulic performance and mass transfer efficiency testing of a single stage of 5.5-cm ORNL-designed centrifugal contactor has been performed for the CSSX process with the optimized solvent. Maximum throughputs of the 5.5-cm centrifugal contactor, as a function of contactor rotor speed, have been measured for the extraction, scrub, strip, and wash sections of the CSSX flowsheet at the baseline organic/aqueous flow ratios (O/A) of the process, as well as at O/A's 20% higher and 20% lower than the baseline. Maximum throughputs are comparable to the design throughput of the contactor, as well as with throughputs obtained previously in a 5-cm centrifugal contactor with the non-optimized CSSX solvent formulation. The 20% variation in O/A had minimal effect on contactor throughput. Additionally, mass transfer efficiencies have been determined for the extraction and strip sections of the flowsheet. Efficiencies were lower than the process goal of greater than or equal to 80%, ranging from 72 to 75% for the extraction section and from 36 to 60% in the strip section. Increasing the mixing intensity and/or the solution level in the mixing zone of the centrifugal contactor (residence time) could potentially increase efficiencies. Several methods are available to accomplish this including (1) increasing the size of the opening in the bottom of the rotor, resulting in a contactor which is partially pumping instead of fully pumping, (2) decreasing the number of vanes in the contactor, (3) increasing the vane height, or (4) adding vanes on the rotor and baffles on the housing of the contactor. The low efficiency results obtained stress the importance of proper design of

  11. Computerized systems analysis and optimization of aircraft engine performance, weight, and life cycle costs

    NASA Technical Reports Server (NTRS)

    Fishbach, L. H.

    1979-01-01

    The paper describes the computational techniques employed in determining the optimal propulsion systems for future aircraft applications and to identify system tradeoffs and technology requirements. The computer programs used to perform calculations for all the factors that enter into the selection process of determining the optimum combinations of airplanes and engines are examined. Attention is given to the description of the computer codes including NNEP, WATE, LIFCYC, INSTAL, and POD DRG. A process is illustrated by which turbine engines can be evaluated as to fuel consumption, engine weight, cost and installation effects. Examples are shown as to the benefits of variable geometry and of the tradeoff between fuel burned and engine weights. Future plans for further improvements in the analytical modeling of engine systems are also described.

  12. Computerized systems analysis and optimization of aircraft engine performance, weight, and life cycle costs

    NASA Technical Reports Server (NTRS)

    Fishbach, L. H.

    1979-01-01

    The paper describes the computational techniques employed in determining the optimal propulsion systems for future aircraft applications and to identify system tradeoffs and technology requirements. The computer programs used to perform calculations for all the factors that enter into the selection process of determining the optimum combinations of airplanes and engines are examined. Attention is given to the description of the computer codes including NNEP, WATE, LIFCYC, INSTAL, and POD DRG. A process is illustrated by which turbine engines can be evaluated as to fuel consumption, engine weight, cost and installation effects. Examples are shown as to the benefits of variable geometry and of the tradeoff between fuel burned and engine weights. Future plans for further improvements in the analytical modeling of engine systems are also described.

  13. Optimization of temperature-time sequences in reaction-regeneration cycles--Application to the isomerization of cis-butene

    SciTech Connect

    Gayubo, A.G.; Arandes, J.M.; Aguayo, A.T.; Olazar, M.; Bilbao, J. . Dept. de Ingenieria Quimica)

    1993-11-01

    The isomerization of cis-butene on a silica-alumina catalyst, in successive and uninterrupted reaction-regeneration cycles, in an isothermal integral fixed-bed reactor, has been simulated and experimentally studied. In the program for simulation, the following kinetic equations were used: the main reaction, deactivation, and reactivation. The simultaneous optimization of reaction and regeneration steps, with the aim of maximizing the apparent production rate of 1-butene or trans-butene, has been studied. The reaction was operated following a temperature-time sequence. The regeneration consisted of the combination of a step of stripping treatment with an inert gas and of a step of coke combustion. The results of simulation have been experimentally proven in automated reaction-regeneration equipment, in which the optimum conditions of both steps have been used.

  14. Development of a novel naphthoic acid ionic liquid and its application in "no-organic solvent microextraction" for determination of triclosan and methyltriclosan in human fluids and the method optimization by central composite design.

    PubMed

    Wang, Hui; Gao, Jiajia; Yu, Nana; Qu, Jingang; Fang, Fang; Wang, Huili; Wang, Mei; Wang, Xuedong

    2016-07-01

    In traditional ionic liquids (ILs)-based microextraction, the hydrophobic and hydrophilic ILs are often used as extractant and disperser, respectively. However, the functional effects of ILs are not utilized in microextraction procedures. Herein, we introduced 1-naphthoic acid into imidazolium ring to synthesize a novel ionic liquid 1-butyl-3-methylimidazolium naphthoic acid salt ([C4MIM][NPA]), and its structure was characterized by IR, (1)H NMR and MS. On the basis of its acidic property and lower solubility than common [CnMIM][BF4], it was used as a mixing dispersive solvent with [C4MIM][BF4] in "functionalized ionic liquid-based no organic solvent microextraction (FIL-NOSM)". Utilization of [C4MIM][NPA] in FIL-NOSM procedures has two obvious advantages: (1) it promoted the non-polar environment, increased volume of the sedimented phase, and thus could enhance the extraction recoveries of triclosan (TCS) and methyltriclosan (MTCS) by more than 10%; and (2) because of the acidic property, it can act as a pH modifier, avoiding extra pH adjustment step. By combining single factor optimization and central composite design, the main factors in the FIL-NOSM method were optimized. Under the optimal conditions, the relative recoveries of TCS and MTCS reached up to 98.60-106.09%, and the LODs of them were as low as 0.12-0.15µgL(-1) in plasma and urine samples. In total, this [C4MIM][NPA]-based FIL-NOSM method provided high extraction efficiency, and required less pretreatment time and unutilized any organic solvent. To the best of our knowledge, this is the first application of [C4mim][NPA]-based microextraction method for the simultaneous quantification of trace TCS and MTCS in human fluids.

  15. Novel pathways for fuels and lubricants from biomass optimized using life-cycle greenhouse gas assessment

    DOE PAGES

    Balakrishnan, Madhesan; Sacia, Eric R.; Sreekumar, Sanil; ...

    2015-06-08

    Decarbonizing the transportation sector is critical to achieving global climate change mitigation. Although biofuels will play an important role in conventional gasoline and diesel applications, bioderived solutions are particularly important in jet fuels and lubricants, for which no other viable renewable alternatives exist. Producing compounds for jet fuel and lubricant base oil applications often requires upgrading fermentation products, such as alcohols and ketones, to reach the appropriate molecular-weight range. Ketones possess both electrophilic and nucleophilic functionality, which allows them to be used as building blocks similar to alkenes and aromatics in a petroleum refining complex. Here, we develop a methodmore » for selectively upgrading biomass-derived alkyl methyl ketones with >95% yields into trimer condensates, which can then be hydrodeoxygenated in near-quantitative yields to give a new class of cycloalkane compounds. The basic chemistry developed here can be tailored for aviation fuels as well as lubricants by changing the production strategy. We demonstrate that a sugarcane biorefinery could use natural synergies between various routes to produce a mixture of lubricant base oils and jet fuels that achieve net life-cycle greenhouse gas savings of up to 80%.« less

  16. Optimization of the catalytic oxidation of CO for closed-cycle CO2 laser applications

    NASA Technical Reports Server (NTRS)

    Miller, I. M.; Wood, G. M.; Schryer, D. R.; Hess, R. V.; Upchurch, B. T.; Brown, K. G.; Sidney, B. D.

    1985-01-01

    This report develops a basis for the design of a catalyst bed for the recombination of CO and O2 in a closed-cycle CO2 laser system. The catalyst is 1% Pt on SnO2 having a BET surface area of 6.7 sq m/g and a specific void volume of 0.374 cu cm/g. The design conditions are: a catalyst bed temperature of 100 C and a circulating flow rate of 10 lambda/min. Under these conditions, the required quantity of catalyst for prolonged laser operation of 668g. The rat law for the reaction of a stoichiometric mixture of 1% CO + 1/2% O2 in helium was determined to be overall first order; however, additional experiments with non-stoichiometric gas mixtures of CO and O2 are needed to determine the order of the CO concentration and the order of the O2 concentration in the rate law.

  17. Novel pathways for fuels and lubricants from biomass optimized using life-cycle greenhouse gas assessment.

    PubMed

    Balakrishnan, Madhesan; Sacia, Eric R; Sreekumar, Sanil; Gunbas, Gorkem; Gokhale, Amit A; Scown, Corinne D; Toste, F Dean; Bell, Alexis T

    2015-06-23

    Decarbonizing the transportation sector is critical to achieving global climate change mitigation. Although biofuels will play an important role in conventional gasoline and diesel applications, bioderived solutions are particularly important in jet fuels and lubricants, for which no other viable renewable alternatives exist. Producing compounds for jet fuel and lubricant base oil applications often requires upgrading fermentation products, such as alcohols and ketones, to reach the appropriate molecular-weight range. Ketones possess both electrophilic and nucleophilic functionality, which allows them to be used as building blocks similar to alkenes and aromatics in a petroleum refining complex. Here, we develop a method for selectively upgrading biomass-derived alkyl methyl ketones with >95% yields into trimer condensates, which can then be hydrodeoxygenated in near-quantitative yields to give a new class of cycloalkane compounds. The basic chemistry developed here can be tailored for aviation fuels as well as lubricants by changing the production strategy. We also demonstrate that a sugarcane biorefinery could use natural synergies between various routes to produce a mixture of lubricant base oils and jet fuels that achieve net life-cycle greenhouse gas savings of up to 80%.

  18. Novel pathways for fuels and lubricants from biomass optimized using life-cycle greenhouse gas assessment

    PubMed Central

    Balakrishnan, Madhesan; Sacia, Eric R.; Sreekumar, Sanil; Gunbas, Gorkem; Gokhale, Amit A.; Scown, Corinne D.; Toste, F. Dean; Bell, Alexis T.

    2015-01-01

    Decarbonizing the transportation sector is critical to achieving global climate change mitigation. Although biofuels will play an important role in conventional gasoline and diesel applications, bioderived solutions are particularly important in jet fuels and lubricants, for which no other viable renewable alternatives exist. Producing compounds for jet fuel and lubricant base oil applications often requires upgrading fermentation products, such as alcohols and ketones, to reach the appropriate molecular-weight range. Ketones possess both electrophilic and nucleophilic functionality, which allows them to be used as building blocks similar to alkenes and aromatics in a petroleum refining complex. Here, we develop a method for selectively upgrading biomass-derived alkyl methyl ketones with >95% yields into trimer condensates, which can then be hydrodeoxygenated in near-quantitative yields to give a new class of cycloalkane compounds. The basic chemistry developed here can be tailored for aviation fuels as well as lubricants by changing the production strategy. We also demonstrate that a sugarcane biorefinery could use natural synergies between various routes to produce a mixture of lubricant base oils and jet fuels that achieve net life-cycle greenhouse gas savings of up to 80%. PMID:26056307

  19. Novel pathways for fuels and lubricants from biomass optimized using life-cycle greenhouse gas assessment

    SciTech Connect

    Balakrishnan, Madhesan; Sacia, Eric R.; Sreekumar, Sanil; Gunbas, Gorkem; Gokhale, Amit A.; Scown, Corinne D.; Toste, F. Dean; Bell, Alexis T.

    2015-06-08

    Decarbonizing the transportation sector is critical to achieving global climate change mitigation. Although biofuels will play an important role in conventional gasoline and diesel applications, bioderived solutions are particularly important in jet fuels and lubricants, for which no other viable renewable alternatives exist. Producing compounds for jet fuel and lubricant base oil applications often requires upgrading fermentation products, such as alcohols and ketones, to reach the appropriate molecular-weight range. Ketones possess both electrophilic and nucleophilic functionality, which allows them to be used as building blocks similar to alkenes and aromatics in a petroleum refining complex. Here, we develop a method for selectively upgrading biomass-derived alkyl methyl ketones with >95% yields into trimer condensates, which can then be hydrodeoxygenated in near-quantitative yields to give a new class of cycloalkane compounds. The basic chemistry developed here can be tailored for aviation fuels as well as lubricants by changing the production strategy. We demonstrate that a sugarcane biorefinery could use natural synergies between various routes to produce a mixture of lubricant base oils and jet fuels that achieve net life-cycle greenhouse gas savings of up to 80%.

  20. Optimized, Competitive Supercritical-CO2 Cycle GFR for Gen IV Service

    SciTech Connect

    M.J. Driscoll; P. Hejzlar; G. Apostolakis

    2008-09-08

    An overall plant design was developed for a gas-cooled fast reactor employing a direct supercritical Brayton power conversion system. The most important findings were that (1) the concept could be capital-cost competitive, but startup fuel cycle costs are penalized by the low core power density, specified in large part to satisfy the goal of significatn post-accident passive natural convection cooling; (2) active decay heat removal is preferable as the first line of defense, with passive performance in a backup role; (3) an innovative tube-in-duct fuel assembly, vented to the primpary coolant, appears to be practicable; and (4) use of the S-Co2 GFR to support hydrogen production is a synergistic application, since sufficient energy can be recuperated from the product H2 and 02 to allow the electrolysis cell to run 250 C hotter than the reactor coolant, and the water boilers can be used for reactor decay heat removal. Increasing core poer density is identified as the top priority for future work on GFRs of this type.

  1. Identifying energy and carbon footprint optimization potentials of a sludge treatment line with Life Cycle Assessment.

    PubMed

    Remy, C; Lesjean, B; Waschnewski, J

    2013-01-01

    This study exemplifies the use of Life Cycle Assessment (LCA) as a tool to quantify the environmental impacts of processes for wastewater treatment. In a case study, the sludge treatment line of a large wastewater treatment plant (WWTP) is analysed in terms of cumulative energy demand and the emission of greenhouse gases (carbon footprint). Sludge treatment consists of anaerobic digestion, dewatering, drying, and disposal of stabilized sludge in mono- or co-incineration in power plants or cement kilns. All relevant forms of energy demand (electricity, heat, chemicals, fossil fuels, transport) and greenhouse gas emissions (fossil CO(2), CH(4), N(2)O) are accounted in the assessment, including the treatment of return liquor from dewatering in the WWTP. Results show that the existing process is positive in energy balance (-162 MJ/PE(COD) * a) and carbon footprint (-11.6 kg CO(2)-eq/PE(COD) * a) by supplying secondary products such as electricity from biogas production or mono-incineration and substituting fossil fuels in co-incineration. However, disposal routes for stabilized sludge differ considerably in their energy and greenhouse gas profiles. In total, LCA proves to be a suitable tool to support future investment decisions with information of environmental relevance on the impact of wastewater treatment, but also urban water systems in general.

  2. Optimization of grating duty cycle in non-interferometric grating-based X-ray phase contrast imaging

    NASA Astrophysics Data System (ADS)

    Luo, Ronghui; Wu, Zhao; Xiong, Ying; Wei, Chenxi; Zhang, Xiaobo; Hu, Renfang; Wang, Lei; Guo, Liang; Liu, Gang; Tian, Yangchao

    2017-08-01

    Grating-based X-ray phase contrast imaging technology is one of the most potential imaging methods in real applications. It can be classified into two categories: interferometry and non-interferometric imaging. The non-interferometric grating-based X-ray phase contrast imaging (NIGPCI) instrument has a great advantage in the forthcoming commercial applications for the flexible system design and the use of large periodic gratings. The performance of the NIGPCI instrument depends on its angular sensitivity to a great extent. Therefore, good angular sensitivity is mandatory in order to obtain high quality phase-contrast images. Several parameters, such as the X-ray spectrum, the inter-grating distances, and the parameters of the three gratings, influence the angular sensitivity of the imaging system. However, the quantitative relationship between the angular sensitivity and grating duty cycle is unclear. Therefore, this paper is devoted to revealing their internal relation by theoretical deduction and emulation of the imaging process with the theories of linear system and Fourier optics. Furthermore, a quantitative analysis method to optimize the duty cycles of gratings is proposed and its applicability to a general NIGPCI system is verified.

  3. Fast freeze-drying cycle design and optimization using a PAT based on the measurement of product temperature.

    PubMed

    Bosca, Serena; Barresi, Antonello A; Fissore, Davide

    2013-10-01

    This paper is focused on the use of an innovative Process Analytical Technology for the fast design and optimization of freeze-drying cycles for pharmaceuticals. The tool is based on a soft-sensor, a device that uses the experimental measure of product temperature during freeze-drying, a mathematical model of the process, and the Extended Kalman Filter algorithm to estimate the sublimation flux, the residual amount of ice in the vial, and some model parameters (heat and mass transfer coefficients). The accuracy of the estimations provided by the soft-sensor has been shown using as test case aqueous solutions containing different excipients (sucrose, polyvinylpyrrolidone), processed at various operating conditions, pointing out that the soft-sensor allows a fast estimation of model parameters and product dynamics without involving expensive hardware or time consuming analysis. The possibility of using the soft-sensor to calculate in-line (or off-line) the design space of the primary drying phase is here presented and discussed. Results evidences that by this way, it is possible to identify the values of the heating fluid temperature that maintain product temperature below the limit value, as well as the operating conditions that maximize the sublimation flux. Various experiments have been carried out to test the effectiveness of the proposed approach for a fast design of the cycle, evidencing that drying time can be significantly reduced, without impairing product quality.

  4. Sensitivity analysis and economic optimization studies of inverted five-spot gas cycling in gas condensate reservoir

    NASA Astrophysics Data System (ADS)

    Shams, Bilal; Yao, Jun; Zhang, Kai; Zhang, Lei

    2017-08-01

    Gas condensate reservoirs usually exhibit complex flow behaviors because of propagation response of pressure drop from the wellbore into the reservoir. When reservoir pressure drops below the dew point in two phase flow of gas and condensate, the accumulation of large condensate amount occurs in the gas condensate reservoirs. Usually, the saturation of condensate accumulation in volumetric gas condensate reservoirs is lower than the critical condensate saturation that causes trapping of large amount of condensate in reservoir pores. Trapped condensate often is lost due to condensate accumulation-condensate blockage courtesy of high molecular weight, heavy condensate residue. Recovering lost condensate most economically and optimally has always been a challenging goal. Thus, gas cycling is applied to alleviate such a drastic loss in resources. In gas injection, the flooding pattern, injection timing and injection duration are key parameters to study an efficient EOR scenario in order to recover lost condensate. This work contains sensitivity analysis on different parameters to generate an accurate investigation about the effects on performance of different injection scenarios in homogeneous gas condensate system. In this paper, starting time of gas cycling and injection period are the parameters used to influence condensate recovery of a five-spot well pattern which has an injection pressure constraint of 3000 psi and production wells are constraint at 500 psi min. BHP. Starting injection times of 1 month, 4 months and 9 months after natural depletion areapplied in the first study. The second study is conducted by varying injection duration. Three durations are selected: 100 days, 400 days and 900 days. In miscible gas injection, miscibility and vaporization of condensate by injected gas is more efficient mechanism for condensate recovery. From this study, it is proven that the application of gas cycling on five-spot well pattern greatly enhances condensate recovery

  5. Analysis and optimization of three main organic Rankine cycle configurations using a set of working fluids with different thermodynamic behaviors

    NASA Astrophysics Data System (ADS)

    Hamdi, Basma; Mabrouk, Mohamed Tahar; Kairouani, Lakdar; Kheiri, Abdelhamid

    2017-06-01

    Different configurations of organic Rankine cycle (ORC) systems are potential thermodynamic concepts for power generation from low grade heat. The aim of this work is to investigate and optimize the performances of the three main ORC systems configurations: basic ORC, ORC with internal heat exchange (IHE) and regenerative ORC. The evaluation for those configurations was performed using seven working fluids with typical different thermodynamic behaviours (R245fa, R601a, R600a, R227ea, R134a, R1234ze and R1234yf). The optimization has been performed using a genetic algorithm under a comprehensive set of operative parameters such as the fluid evaporating temperature, the fraction of flow rate or the pressure at the steam extracting point in the turbine. Results show that there is no general best ORC configuration for all those fluids. However, there is a suitable configuration for each fluid. Contribution to the topical issue "Materials for Energy harvesting, conversion and storage II (ICOME 2016)", edited by Jean-Michel Nunzi, Rachid Bennacer and Mohammed El Ganaoui

  6. Stoddard solvent poisoning

    MedlinePlus

    These products contain Stoddard solvent: Dry cleaning fluids Paints Paint thinner Stoddard solvent ( mineral spirits ) Toners used in copy machines This list may not include all products containing Stoddard solvent.

  7. Performance optimization of an air-standard irreversible dual-atkinson cycle engine based on the ecological coefficient of performance criterion.

    PubMed

    Gonca, Guven; Sahin, Bahri

    2014-01-01

    This paper presents an ecological performance analysis and optimization for an air-standard irreversible Dual-Atkinson cycle (DAC) based on the ecological coefficient of performance (ECOP) criterion which includes internal irreversibilities, heat leak, and finite-rate of heat transfer. A comprehensive numerical analysis has been realized so as to investigate the global and optimal performances of the cycle. The results obtained based on the ECOP criterion are compared with a different ecological function which is named as the ecologic objective-function and with the maximum power output conditions. The results have been attained introducing the compression ratio, cut-off ratio, pressure ratio, Atkinson cycle ratio, source temperature ratio, and internal irreversibility parameter. The change of cycle performance with respect to these parameters is investigated and graphically presented.

  8. Performance Optimization of an Air-Standard Irreversible Dual-Atkinson Cycle Engine Based on the Ecological Coefficient of Performance Criterion

    PubMed Central

    Gonca, Guven; Sahin, Bahri

    2014-01-01

    This paper presents an ecological performance analysis and optimization for an air-standard irreversible Dual-Atkinson cycle (DAC) based on the ecological coefficient of performance (ECOP) criterion which includes internal irreversibilities, heat leak, and finite-rate of heat transfer. A comprehensive numerical analysis has been realized so as to investigate the global and optimal performances of the cycle. The results obtained based on the ECOP criterion are compared with a different ecological function which is named as the ecologic objective-function and with the maximum power output conditions. The results have been attained introducing the compression ratio, cut-off ratio, pressure ratio, Atkinson cycle ratio, source temperature ratio, and internal irreversibility parameter. The change of cycle performance with respect to these parameters is investigated and graphically presented. PMID:25170525

  9. Optimal design of green and grey stormwater infrastructure for small urban catchment based on life-cycle cost-effectiveness analysis

    NASA Astrophysics Data System (ADS)

    Yang, Y.; Chui, T. F. M.

    2016-12-01

    Green infrastructure (GI) is identified as sustainable and environmentally friendly alternatives to the conventional grey stormwater infrastructure. Commonly used GI (e.g. green roof, bioretention, porous pavement) can provide multifunctional benefits, e.g. mitigation of urban heat island effects, improvements in air quality. Therefore, to optimize the design of GI and grey drainage infrastructure, it is essential to account for their benefits together with the costs. In this study, a comprehensive simulation-optimization modelling framework that considers the economic and hydro-environmental aspects of GI and grey infrastructure for small urban catchment applications is developed. Several modelling tools (i.e., EPA SWMM model, the WERF BMP and LID Whole Life Cycle Cost Modelling Tools) and optimization solvers are coupled together to assess the life-cycle cost-effectiveness of GI and grey infrastructure, and to further develop optimal stormwater drainage solutions. A typical residential lot in New York City is examined as a case study. The life-cycle cost-effectiveness of various GI and grey infrastructure are first examined at different investment levels. The results together with the catchment parameters are then provided to the optimization solvers, to derive the optimal investment and contributing area of each type of the stormwater controls. The relationship between the investment and optimized environmental benefit is found to be nonlinear. The optimized drainage solutions demonstrate that grey infrastructure is preferred at low total investments while more GI should be adopted at high investments. The sensitivity of the optimized solutions to the prices the stormwater controls is evaluated and is found to be highly associated with their utilizations in the base optimization case. The overall simulation-optimization framework can be easily applied to other sites world-wide, and to be further developed into powerful decision support systems.

  10. Computing conformational free energy differences in explicit solvent: An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points.

    PubMed

    Harris, Robert C; Deng, Nanjie; Levy, Ronald M; Ishizuka, Ryosuke; Matubayasi, Nobuyuki

    2016-12-23

    Many biomolecules undergo conformational changes associated with allostery or ligand binding. Observing these changes in computer simulations is difficult if their timescales are long. These calculations can be accelerated by observing the transition on an auxiliary free energy surface with a simpler Hamiltonian and connecting this free energy surface to the target free energy surface with free energy calculations. Here, we show that the free energy legs of the cycle can be replaced with energy representation (ER) density functional approximations. We compute: (1) The conformational free energy changes for alanine dipeptide transitioning from the right-handed free energy basin to the left-handed basin and (2) the free energy difference between the open and closed conformations of β-cyclodextrin, a "host" molecule that serves as a model for molecular recognition in host-guest binding. β-cyclodextrin contains 147 atoms compared to 22 atoms for alanine dipeptide, making β-cyclodextrin a large molecule for which to compute solvation free energies by free energy perturbation or integration methods and the largest system for which the ER method has been compared to exact free energy methods. The ER method replaced the 28 simulations to compute each coupling free energy with two endpoint simulations, reducing the computational time for the alanine dipeptide calculation by about 70% and for the β-cyclodextrin by > 95%. The method works even when the distribution of conformations on the auxiliary free energy surface differs substantially from that on the target free energy surface, although some degree of overlap between the two surfaces is required. © 2016 Wiley Periodicals, Inc.

  11. Influence of processing procedure on the quality of Radix Scrophulariae: a quantitative evaluation of the main compounds obtained by accelerated solvent extraction and high-performance liquid chromatography.

    PubMed

    Cao, Gang; Wu, Xin; Li, Qinglin; Cai, Hao; Cai, Baochang; Zhu, Xuemei

    2015-02-01

    An improved high-performance liquid chromatography with diode array detection combined with accelerated solvent extraction method was used to simultaneously determine six compounds in crude and processed Radix Scrophulariae samples. Accelerated solvent extraction parameters such as extraction solvent, temperature, number of cycles, and analysis procedure were systematically optimized. The results indicated that compared with crude Radix Scrophulariae samples, the processed samples had lower contents of harpagide and harpagoside but higher contents of catalpol, acteoside, angoroside C, and cinnamic acid. The established method was sufficiently rapid and reliable for the global quality evaluation of crude and processed herbal medicines. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Process for hydrogenating coal and coal solvents

    DOEpatents

    Tarrer, Arthur R.; Shridharani, Ketan G.

    1983-01-01

    A novel process is described for the hydrogenation of coal by the hydrogenation of a solvent for the coal in which the hydrogenation of the coal solvent is conducted in the presence of a solvent hydrogenation catalyst of increased activity, wherein the hydrogenation catalyst is produced by reacting ferric oxide with hydrogen sulfide at a temperature range of 260.degree. C. to 315.degree. C. in an inert atmosphere to produce an iron sulfide hydrogenation catalyst for the solvent. Optimally, the reaction temperature is 275.degree. C. Alternately, the reaction can be conducted in a hydrogen atmosphere at 350.degree. C.

  13. Optimization of the cycle life performance of VRLA batteries, working under high rate, partial state of charge (HRPSOC) conditions

    NASA Astrophysics Data System (ADS)

    Fernández, M.; Trinidad, F.; Valenciano, J.; Sánchez, A.

    On hybrid vehicle applications, batteries must work in a rather low state of charge (SOC), in order to be able to recover as much of the regenerative braking energy as possible. Usually SOC values around 60% are used, which promotes the development of new unexpected failure modes not previously found, mainly associated with heavy sulphation of the negative plates. In order to try to optimise the cycle life performance to the point of making these batteries a real alternative for the application of hybrid vehicles, a series of tests have been undertaken, aimed to optimise the key parameters that from previous experience are known to determine life duration in high rate low state of charge (HRPSOC) conditions. Previous works have been focused on trying to determine the optimum composition of positive and negative active material, concerning paste density in the positive, and additives in negative. In order to overcome the deleterious effect of heavy sulphation in negative plates on cycle life, the use of conductivity enhancers additives such as graphite has been proposed. The objective of this project is to optimize the performance of the glass microfiber separators, in order to maintain a high degree of compression in the group, as well as to avoid acid stratification and development of short circuits along the battery life. To do this, different glass microfiber separators with inert additives, as well as different fiber composition have been tested. Results obtained up to now, indicate a remarkable good performance of the VRLA batteries with the new separators containing very fine fiberglass and silica fillers as an additive.

  14. STATE-OF-THE-ART AND EMERGING TRUCK ENGINE TECHNOLOGIES FOR OPTIMIZED PERFORMANCE, EMISSIONS AND LIFE CYCLE COSTS

    SciTech Connect

    Schittler, M

    2003-08-24

    The challenge for truck engine product engineering is not only to fulfill increasingly stringent emission requirements, but also to improve the engine's economical viability in its role as the backbone of our global economy. While societal impact and therefore emission limit values are to be reduced in big steps, continuous improvement is not enough but technological quantum leaps are necessary. The introduction and refinement of electronic control of all major engine systems has already been a quantum leap forward. Maximizing the benefits of these technologies to customers and society requires full use of parameter optimization and other enabling technologies. The next big step forward will be widespread use of exhaust aftertreatment on all transportation related diesel engines. While exhaust gas aftertreatment has been successfully established on gasoline (Otto cycle) engines, the introduction of exhaust aftertreatment especially for heavy-duty diesel engines will be much mo re demanding. Implementing exhaust gas aftertreatment into commercial vehicle applications is a challenging task but the emission requirements to be met starting in Europe, the USA and Japan in the 2005-2007 timeframe require this step. The engine industry will be able to implement the new technology if all stakeholders support the necessary decisions. One decision has already been taken: the reduction of sulfur in diesel fuel being comparable with the elimination of lead in gasoline as a prerequisite for the three-way catalyst. Now we have the chance to optimize ecology and economy of the Diesel engine simultaneously by taking the decision to provide an additional infrastructure for a NOx reduction agent needed for the introduction of the Selective Catalytic Reduction (SCR) technology that is already implemented in the electric power generation industry. This requires some effort, but the resulting societal benefits, fuel economy and vehicle life cycle costs are significantly better when

  15. Solvent wash solution

    DOEpatents

    Neace, James C.

    1986-01-01

    Process for removing diluent degradation products from a solvent extraction solution, which has been used to recover uranium and plutonium from spent nuclear fuel. A wash solution and the solvent extraction solution are combined. The wash solution contains (a) water and (b) up to about, and including, 50 volume percent of at least one-polar water-miscible organic solvent based on the total volume of the water and the highly-polar organic solvent. The wash solution also preferably contains at least one inorganic salt. The diluent degradation products dissolve in the highly-polar organic solvent and the organic solvent extraction solvent do not dissolve in the highly-polar organic solvent. The highly-polar organic solvent and the extraction solvent are separated.

  16. Solvent wash solution

    DOEpatents

    Neace, J.C.

    1984-03-13

    A process is claimed for removing diluent degradation products from a solvent extraction solution, which has been used to recover uranium and plutonium from spent nuclear fuel. A wash solution and the solvent extraction solution are combined. The wash solution contains (a) water and (b) up to about, and including, 50 vol % of at least one-polar water-miscible organic solvent based on the total volume of the water and the highly-polar organic solvent. The wash solution also preferably contains at least one inorganic salt. The diluent degradation products dissolve in the highly-polar organic solvent and the organic solvent extraction solvent do not dissolve in the highly-polar organic solvent. The highly-polar organic solvent and the extraction solvent are separated.

  17. Optimization of conditions of solvent-free microwave extraction and study on antioxidant capacity of essential oil from Schisandra chinensis (Turcz.) Baill.

    PubMed

    Ma, Chun-hui; Yang, Lei; Zu, Yuan-gang; Liu, Ting-ting

    2012-10-15

    In this article, solvent-free microwave extraction (SFME) of essential oil from Schisandra chinensis (Turcz.) Baill was studied. A multivariate study based on central composite design (CCD) was used to evaluate the influence of three major variables affecting the performance of SFME. The optimum parameters were extraction time 30 min, irradiation power 385 W and moisture content of the fruits was 68%. The extraction yield of essential oil was 11 ml/kg under the optimum conditions. The antioxidant capacity of essential oils extracted by different methods were determined, and compared with traditional antioxidants. GC-MS showed the different composition of essential oil extracted by hydro-distillation (HD), steam-distillation (SD) and SFME. S. chinensis materials treated by different methods were observed by scanning electronic microscopy (SEM) and thermo-gravimetric analysis (TGA). Micrographs and thermo gravimetric loss provided more evidences to prove SFME of essential oil is more completed than HD and SD.

  18. Optimizing a Test Method to Evaluate Resistance of Pervious Concrete to Cycles of Freezing and Thawing in the Presence of Different Deicing Salts

    PubMed Central

    Tsang, Chehong; Shehata, Medhat H.; Lotfy, Abdurrahmaan

    2016-01-01

    The lack of a standard test method for evaluating the resistance of pervious concrete to cycles of freezing and thawing in the presence of deicing salts is the motive behind this study. Different sample size and geometry, cycle duration, and level of submersion in brine solutions were investigated to achieve an optimized test method. The optimized test method was able to produce different levels of damage when different types of deicing salts were used. The optimized duration of one cycle was found to be 24 h with twelve hours of freezing at −18 °C and twelve hours of thawing at +21 °C, with the bottom 10 mm of the sample submerged in the brine solution. Cylinder samples with a diameter of 100 mm and height of 150 mm were used and found to produce similar results to 150 mm-cubes. Based on the obtained results a mass loss of 3%–5% is proposed as a failure criterion of cylindrical samples. For the materials and within the cycles of freezing/thawing investigated here, the deicers that caused the most damage were NaCl, CaCl2 and urea, followed by MgCl2, potassium acetate, sodium acetate and calcium-magnesium acetate. More testing is needed to validate the effects of different deicers under long term exposures and different temperature ranges. PMID:28773998

  19. Optimizing a Test Method to Evaluate Resistance of Pervious Concrete to Cycles of Freezing and Thawing in the Presence of Different Deicing Salts.

    PubMed

    Tsang, Chehong; Shehata, Medhat H; Lotfy, Abdurrahmaan

    2016-10-28

    The lack of a standard test method for evaluating the resistance of pervious concrete to cycles of freezing and thawing in the presence of deicing salts is the motive behind this study. Different sample size and geometry, cycle duration, and level of submersion in brine solutions were investigated to achieve an optimized test method. The optimized test method was able to produce different levels of damage when different types of deicing salts were used. The optimized duration of one cycle was found to be 24 h with twelve hours of freezing at -18 °C and twelve hours of thawing at +21 °C, with the bottom 10 mm of the sample submerged in the brine solution. Cylinder samples with a diameter of 100 mm and height of 150 mm were used and found to produce similar results to 150 mm-cubes. Based on the obtained results a mass loss of 3%-5% is proposed as a failure criterion of cylindrical samples. For the materials and within the cycles of freezing/thawing investigated here, the deicers that caused the most damage were NaCl, CaCl 2 and urea, followed by MgCl 2 , potassium acetate, sodium acetate and calcium-magnesium acetate. More testing is needed to validate the effects of different deicers under long term exposures and different temperature ranges.

  20. Miscellaneous hydrocarbon solvents.

    PubMed

    Bebarta, Vikhyat; DeWitt, Christopher

    2004-08-01

    The solvents discussed in this article are common solvents not categorized as halogenated, aromatic, or botanical. The solvents discussed are categorized into two groups: hydrocarbon mixtures and single agents. The hydrocarbon mixtures discussed are Stoddard solvent, naphtha, and kerosene. The remaining solvents described are n-hexane, methyl n-butyl ketone, dimethylformamide, dimethyl sulfoxide, and butyl mercaptans. Effects common to this group of agents and their unique effects are characterized. Treatment of exposures and toxic effects of these solvents is described, and physiochemical properties and occupational exposure levels are listed.

  1. Optimism

    PubMed Central

    Carver, Charles S.; Scheier, Michael F.; Segerstrom, Suzanne C.

    2010-01-01

    Optimism is an individual difference variable that reflects the extent to which people hold generalized favorable expectancies for their future. Higher levels of optimism have been related prospectively to better subjective well-being in times of adversity or difficulty (i.e., controlling for previous well-being). Consistent with such findings, optimism has been linked to higher levels of engagement coping and lower levels of avoidance, or disengagement, coping. There is evidence that optimism is associated with taking proactive steps to protect one's health, whereas pessimism is associated with health-damaging behaviors. Consistent with such findings, optimism is also related to indicators of better physical health. The energetic, task-focused approach that optimists take to goals also relates to benefits in the socioeconomic world. Some evidence suggests that optimism relates to more persistence in educational efforts and to higher later income. Optimists also appear to fare better than pessimists in relationships. Although there are instances in which optimism fails to convey an advantage, and instances in which it may convey a disadvantage, those instances are relatively rare. In sum, the behavioral patterns of optimists appear to provide models of living for others to learn from. PMID:20170998

  2. Life-cycle evaluation of nitrogen-use in rice-farming systems: implications for economically-optimal nitrogen rates

    NASA Astrophysics Data System (ADS)

    Xia, Y.; Yan, X.

    2011-11-01

    Nitrogen (N) fertilizer plays an important role in agricultural systems in terms of food yield. However, N application rates (NARs) are often overestimated over the rice (Oryza sativa L.) growing season in the Taihu Lake region of China. This is largely because negative externalities are not entirely included when evaluating economically-optimal nitrogen rate (EONR), such as only individual N losses are taken into account, or the inventory flows of reactive N have been limited solely to the farming process when evaluating environmental and economic effects of N fertilizer. This study integrates important material and energy flows resulting from N use into a rice agricultural inventory that constitutes the hub of the life-cycle assessment (LCA) method. An economic evaluation is used to determine an environmental and economic NAR for the Taihu Lake region. The analysis reveals that production and exploitation processes consume the largest proportion of resources, accounting for 77.2 % and 22.3 % of total resources, respectively. Regarding environmental impact, global warming creates the highest cost with contributions stemming mostly from fertilizer production and farming processes. Farming process incurs the biggest environmental impact of the three environmental impact categories considered, whereas transportation has a much smaller effect. When taking account of resource consumption and environmental cost, the marginal benefit of 1 kg rice would decrease from 2.4 to only 1.05 yuan. Accordingly, our current EONR has been evaluated at 187 kg N ha-1 for a single rice-growing season. This could enhance profitability, as well as reduce the N losses associated with rice growing.

  3. Advanced steam power plant concepts with optimized life-cycle costs: A new approach for maximum customer benefit

    SciTech Connect

    Seiter, C.

    1998-07-01

    The use of coal power generation applications is currently enjoying a renaissance. New highly efficient and cost-effective plant concepts together with environmental protection technologies are the main factors in this development. In addition, coal is available on the world market at attractive prices and in many places it is more readily available than gas. At the economical leading edge, standard power plant concepts have been developed to meet the requirements of emerging power markets. These concepts incorporate the high technological state-of-the-art and are designed to achieve lowest life-cycle costs. Low capital cost, fuel costs and operating costs in combination with shortest lead times are the main assets that make these plants attractive especially for IPPs and Developers. Other aspects of these comprehensive concepts include turnkey construction and the willingness to participate in BOO/BOT projects. One of the various examples of such a concept, the 2 x 610-MW Paiton Private Power Project Phase II in Indonesia, is described in this paper. At the technological leading edge, Siemens has always made a major contribution and was pacemaker for new developments in steam power plant technology. Modern coal-fired steam power plants use computer-optimized process and plant design as well as advanced materials, and achieve efficiencies exceeding 45%. One excellent example of this high technology is the world's largest lignite-fired steam power plant Schwarze Pumpe in Germany, which is equipped with two 800 MW Siemens steam turbine generators with supercritical steam parameters. The world's largest 50-Hz single-shaft turbine generator with supercritical steam parameters rated at 1025 MW for the Niederaussem lignite-fired steam power plant in Germany is a further example of the sophisticated Siemens steam turbine technology and sets a new benchmark in this field.

  4. Optimization, purification and characterization of novel thermostable, haloalkaline, solvent stable protease from Bacillus halodurans CAS6 using marine shellfish wastes: a potential additive for detergent and antioxidant synthesis.

    PubMed

    Annamalai, Neelamegam; Rajeswari, Mayavan Veeramuthu; Thavasi, Rengathavasi; Vijayalakshmi, Shanmugam; Balasubramanian, Thangavel

    2013-07-01

    A protease producing marine bacterium, Bacillus halodurans CAS6 isolated from marine sediments, was found to produce higher enzyme by utilizing shrimp shell powder. Optimum culture conditions for protease production were 50 °C, pH 9.0, 30 % NaCl and 1 % shrimp shell powder (SSP) and the protease purified with a specific activity of 509.84 U/mg. The enzyme retained 100 % of its original activity even at 70 °C, pH 10.0 and 30 % NaCl for 1 h. The purified protease exhibited higher stability when treated with ionic, non-ionic (72-94 %) and commercial detergents (76-88 %), and organic solvents (88-126 %). Significant blood stain removal activity was found with the enzyme in washing experiments. The culture supernatant supplemented with 1 % SSP showed 93.67 ± 2.52 % scavenging activity and FT-IR analysis of the reaction mixture confirmed the presence of antioxidants such as cyclohexane and cyclic depsipeptide with aliphatic amino groups. These remarkable qualities found with this enzyme produced by Bacillus halodurans CAS6 could make this as an ideal candidate to develop the industrial process for bioconversion of marine wastes and antioxidant synthesis.

  5. Solvents in novolak synthesis

    NASA Astrophysics Data System (ADS)

    Sobodacha, Chet J.; Lynch, Thomas J.; Durham, Dana L.; Paradis, Valerie R.

    1993-09-01

    Novolac resins may be prepared with or without a solvent present. We have found that solvent power greatly affects the properties of the finished resin and thus gives the resist chemist another variable with which to `fine-tune' resist properties. Using designed experiments, we investigated the effect of solvent power, as measured by Hansen's Solubility Parameters, of a number of solvents and solvent mixtures on the final properties of the novolac resin. We found that the relative molecular weight (RMW) and dissolution rate of a novolac resin can be varied by selection of a solvent or solvent mixture with the appropriate polarity and hydrogen- bonding characteristics. The solvent polarity and hydrogen-bonding characteristics may affect the stability of the cresol/formaldehyde transition state, thus causing the observed changes in RMW and dissolution rate.

  6. NEPTUNIUM SOLVENT EXTRACTION PROCESS

    DOEpatents

    Dawson, L.R.; Fields, P.R.

    1959-10-01

    The separation of neptunium from an aqueous solution by solvent extraction and the extraction of neptunium from the solvent solution are described. Neptunium is separated from an aqueous solution containing tetravalent or hexavalent neptunium nitrate, nitric acid, and a nitrate salting out agent, such as sodium nitrate, by contacting the solution with an organic solvent such as diethyl ether. Subsequently, the neptunium nitrate is extracted from the organic solvent extract phase with water.

  7. Solvent Recycling for Shipyards

    DTIC Science & Technology

    1993-05-01

    alternatives to solvent cleaning. Typical equipment types that can be effectively cleaned with recycled solvents include spray guns paint hoses pumps...in place of solvent-based coatings; or equipment changes, such as the use of airless or HVLP systems to reduce paint consumption and overspray...Using mechanical cleaning methods instead of solvent cleaning Change from conventional painting to solventless processes such as thermal spray or powder

  8. Solvents and sustainable chemistry

    PubMed Central

    Welton, Tom

    2015-01-01

    Solvents are widely recognized to be of great environmental concern. The reduction of their use is one of the most important aims of green chemistry. In addition to this, the appropriate selection of solvent for a process can greatly improve the sustainability of a chemical production process. There has also been extensive research into the application of so-called green solvents, such as ionic liquids and supercritical fluids. However, most examples of solvent technologies that give improved sustainability come from the application of well-established solvents. It is also apparent that the successful implementation of environmentally sustainable processes must be accompanied by improvements in commercial performance. PMID:26730217

  9. Solvent recycle/recovery

    SciTech Connect

    Paffhausen, M.W.; Smith, D.L.; Ugaki, S.N.

    1990-09-01

    This report describes Phase I of the Solvent Recycle/Recovery Task of the DOE Chlorinated Solvent Substitution Program for the US Air Force by the Idaho National Engineering Laboratory, EG G Idaho, Inc., through the US Department of Energy, Idaho Operations Office. The purpose of the task is to identify and test recovery and recycling technologies for proposed substitution solvents identified by the Biodegradable Solvent Substitution Program and the Alternative Solvents/Technologies for Paint Stripping Program with the overall objective of minimizing hazardous wastes. A literature search to identify recycle/recovery technologies and initial distillation studies has been conducted. 4 refs.

  10. Solute-solvent interactions in micellar electrokinetic chromatography. 6. Optimization of the selectivity of lithium dodecyl sulfate-lithium perfluorooctanesulfonate mixed micellar buffers.

    PubMed

    Fuguet, Elisabet; Ràfols, Clara; Torres-Lapasió, José Ramón; García-Alvarez-Coque, María Celia; Bosch, Elisabeth; Rosés, Martí

    2002-09-01

    The optimization of the composition of mixed surfactants used as micellar electrokinetic chromatography (MEKC) pseudostationary phases is proposed as an effective method for the separation of complex mixtures of analytes. The solvation parameter model is used to select two surfactants (lithium dodecyl sulfate, LDS, and lithium perfluorooctanesulfonate, LPFOS) with contrasting solvation properties. Combination of these two surfactants allows variations of the solvation properties of MEKC pseudostationary phase along a wide range. Thus, the convenient variation of the proportion of both surfactants allows an effective control of the selectivity in such systems. An algorithm that predicts the overall resolution of a given mixture of compounds is described and applied to optimize the composition of the mixed surfactant for the separation of the mixture. The algorithm is based on the calculation of peak purities on simulated chromatograms as a function of the composition of the mixed LDS/LPFOS micellar buffer from data at several micellar buffer compositions. Successful separations were achieved for mixtures containing up to 20 compounds, in less than 12 min.

  11. Optimization of process parameters of extraction of amentoflavone, quercetin and ginkgetin from Taxus chinensis using supercritical CO2 plus co-solvent.

    PubMed

    Ruan, Xiao; Yan, Liu-Ye; Li, Xian-Xian; Liu, Ben; Zhang, Huan; Wang, Qiang

    2014-10-31

    The effects of extraction time, temperature, pressure and different concentration of ethanol and their interactions on the yields of amentoflavone, quercetin and ginkgetin extracted from Taxus chinensis by supercritical CO2 were investigated by using a central composite design (CCD). An CCD experimental design with four factors and five levels was used to optimize the extraction parameters. Ultra performance liquid chromatography (UPLC) was used to analyze the content of the tree components in the extracts. Experimental results show that the main effects of factors and their interactions are significant on the yields (p < 0.05). The optimal extraction conditions were established for the three compounds: yield of 4.47 mg/g for amentoflavone at 48 °C, 25 MPa, 2.02 h and 78.5% ethanol, 3.73 mg/g for quercetin at 46 °C, 24 MPa, 2.3 h, 82% ethanol and 3.47 mg/g for ginkgetin at 48 °C, 20 MPa, 2.38 h, 82% ethanol, respectively.

  12. Efficient removal of naphthalene-2-ol from aqueous solutions by solvent extraction.

    PubMed

    Shao, Jingjing; Cheng, Yan; Yang, Chunping; Zeng, Guangming; Liu, Wencan; Jiao, Panpan; He, Huijun

    2016-09-01

    Naphthalene-2-ol is a typical biologically recalcitrant pollutant in dye wastewater. Solvent extraction of naphthalene-2-ol from aqueous solutions using mixed solvents was investigated. Various extractants and diluents were evaluated, and the effects of volume ratio of extractant to diluent, initial pH, initial concentration of naphthalene-2-ol in aqueous solution, extraction time, temperature, volume ratio of organic phase to aqueous phase (O/A), stirring rate and extraction stages, on extraction efficiency were examined separately. Regeneration and reuse of the spent extractant were also investigated. Results showed that tributyl phosphate (TBP) achieved 98% extraction efficiency for naphthalene-2-ol in a single stage extraction, the highest among the 12 extractants evaluated. Extraction efficiency was optimized when cyclohexane and n-octane were used as diluents. The solvent combination of 20% TBP, 20% n-octanol and 60% cyclohexane (V/V) obtained the maximum extraction efficiency for naphthalene-2-ol, 99.3%, within 20min using three cross-current extraction stages under the following extraction conditions: O/A ratio of 1:1, initial pH of 3, 25°C and stirring rate of 150r/min. Recovery of mixed solvents was achieved by using 15% (W/W) NaOH solution at an O:A ratio of 1:1 and a contact time of 15min. The mixed solvents achieved an extraction capacity for naphthalene-2-ol stably higher than 90% during five cycles after regeneration.

  13. A rapid and optimization-free procedure allows the in vivo detection of subtle cell cycle and ploidy alterations in tissues by flow cytometry

    PubMed Central

    Heinlein, Christina; Deppert, Wolfgang; Braithwaite, Antony W

    2010-01-01

    Cell cycle alterations are fundamental to many physiological processes but their detection has proven difficult when cells are in the context of a tissue structure. Here we describe an easy, rapid and optimization-free procedure for obtaining high resolution cell cycle profiles from nearly all tissue types derived from mouse, human and sheep. Using a standardized and non-enzymatic procedure that is universally suitable for soft, solid and epithelial tissues alike, we reproducibly obtain cell cycle profiles of highest quality with half peak coefficients of variation below 2.0. We are able to reduce preparation-derived debris to almost zero and efficiently exclude doublets, but retain multinucleated cells and apoptotic subG1-fragments. Applying this technique, we determine DNA-indices as small as 1.09 in tumor samples containing large necrotic areas and follow ploidy changes within different sections of individual tumors. Moreover, we examine tissue-specific cell cycle arrest and apoptosis as an in vivo stress response caused by radiation of mice. This method significantly improves the quality of DNA content analysis in tissues and extends the spectrum of applications. It allows assessing changes in ploidy, cell cycle distribution and apoptosis/necrosis in vivo and should be instrumental in all research that involves experimental animal models and/or patient biopsies. PMID:20928939

  14. A rapid and optimization-free procedure allows the in vivo detection of subtle cell cycle and ploidy alterations in tissues by flow cytometry.

    PubMed

    Heinlein, Christina; Deppert, Wolfgang; Braithwaite, Antony W; Speidel, Daniel

    2010-09-01

    Cell cycle alterations are fundamental to many physiological processes but their detection has proven difficult when cells are in the context of a tissue structure. Here we describe an easy, rapid and optimization-free procedure for obtaining high resolution cell cycle profiles from nearly all tissue types derived from mouse, human and sheep. Using a standardized and non-enzymatic procedure that is universally suitable for soft, solid and epithelial tissues alike, we reproducibly obtain cell cycle profiles of highest quality with half peak coefficients of variation below 2.0. We are able to reduce preparation-derived debris to almost zero and efficiently exclude doublets, but retain multinucleated cells and apoptotic subG1-fragments. Applying this technique, we determine DNA-indices as small as 1.09 in tumor samples containing large necrotic areas and follow ploidy changes within different sections of individual tumors. Moreover, we examine tissue-specific cell cycle arrest and apoptosis as an in vivo stress response caused by radiation of mice. This method significantly improves the quality of DNA content analysis in tissues and extends the spectrum of applications. It allows assessing changes in ploidy, cell cycle distribution and apoptosis/necrosis in vivo and should be instrumental in all research that involves experimental animal models and/or patient biopsies.

  15. Life cycle thinking and assessment tools on environmentally-benign electronics: Convergent optimization of materials use, end-of-life strategy and environmental policies

    NASA Astrophysics Data System (ADS)

    Zhou, Xiaoying

    The purpose of this study is to integrate the quantitative environmental performance assessment tools and the theory of multi-objective optimization within the boundary of electronic product systems to support the selection among design alternatives in terms of environmental impact, technical criteria, and economic feasibility. To meet with the requirements that result from emerging environmental legislation targeting electronics products, the research addresses an important analytical methodological approach to facilitate environmentally conscious design and end-of-life management with a life cycle viewpoint. A synthesis of diverse assessment tools is applied on a set of case studies: lead-free solder materials selection, cellular phone design, and desktop display technology assessment. In the first part of this work, an in-depth industrial survey of the status and concerns of the U.S. electronics industry on the elimination of lead (Pb) in solders is described. The results show that the trade-offs among environmental consequences, technology challenges, business risks, legislative compliance and stakeholders' preferences must be explicitly, simultaneously, and systematically addressed in the decision-making process used to guide multi-faceted planning of environmental solutions. In the second part of this work, the convergent optimization of the technical cycle, economic cycle and environmental cycle is addressed in a coherent and systematic way using the application of environmentally conscious design of cellular phones. The technical understanding of product structure, components analysis, and materials flow facilitates the development of "Design for Disassembly" guidelines. A bottom-up disassembly analysis on a "bill of materials" based structure at a micro-operational level is utilized to select optimal end-of-life strategies on the basis of economic feasibility. A macro-operational level life cycle model is used to investigate the environmental consequences

  16. Optimality of cycle time and inventory decisions in a two echelon inventory system with exponential price dependent demand under credit period

    NASA Astrophysics Data System (ADS)

    Krugon, Seelam; Nagaraju, Dega

    2017-05-01

    This work describes and proposes an two echelon inventory system under supply chain, where the manufacturer offers credit period to the retailer with exponential price dependent demand. The model is framed as demand is expressed as exponential function of retailer’s unit selling price. Mathematical model is framed to demonstrate the optimality of cycle time, retailer replenishment quantity, number of shipments, and total relevant cost of the supply chain. The major objective of the paper is to provide trade credit concept from the manufacturer to the retailer with exponential price dependent demand. The retailer would like to delay the payments of the manufacturer. At the first stage retailer and manufacturer expressions are expressed with the functions of ordering cost, carrying cost, transportation cost. In second stage combining of the manufacturer and retailer expressions are expressed. A MATLAB program is written to derive the optimality of cycle time, retailer replenishment quantity, number of shipments, and total relevant cost of the supply chain. From the optimality criteria derived managerial insights can be made. From the research findings, it is evident that the total cost of the supply chain is decreased with the increase in credit period under exponential price dependent demand. To analyse the influence of the model parameters, parametric analysis is also done by taking with help of numerical example.

  17. A systematic optimization of medium chain fatty acid biosynthesis via the reverse beta-oxidation cycle in Escherichia coli.

    PubMed

    Wu, Junjun; Zhang, Xia; Xia, Xiudong; Dong, Mingsheng

    2017-04-07

    Medium-chain fatty acids (MCFAs, 6-10 carbons) are valuable precursors to many industrial biofuels and chemicals, recently engineered reversal of the β-oxidation (r-BOX) cycle has been proposed as a potential platform for efficient synthesis of MCFAs. Previous studies have made many exciting achievements on functionally characterizing four core enzymes of this r-BOX cycle. However, the information about bottleneck nodes in this cycle is elusive. Here, a quantitative assessment of the inherent limitations of this cycle was conducted to capitalize on its potential. The selection of the core β-oxidation reversal enzymes in conjunction with acetyl-CoA synthetase endowed the ability to synthesize about 1g/L MCFAs. Furthermore, a gene dosage experiment was developed to identify two rate-limiting enzymes (acetyl-CoA synthetase and thiolase). The de novo pathway was then separated into two modules at thiolase and MCFA production titer increased to 2.8g/L after evaluating different construct environments. Additionally, the metabolism of host organism was reprogrammed to the desired biochemical product by the clustered regularly interspaced short palindromic repeats interference system, resulted in a final MCFA production of 3.8g/L. These findings described here identified the inherent limitations of r-BOX cycle and further unleashed the lipogenic potential of this cycle, thus paving the way for the development of a bacterial platform for microbial production of high-value oleo-chemicals from low-value carbons in a sustainable and environmentally friendly manner.

  18. Availability assessment of a centrifugal contactor solvent extraction system

    SciTech Connect

    Haire, M J; Grady, M S; Jubin, R T

    1985-08-01

    A systematic and detailed reliability, availability, and maintainability assessment was made of the preconceptual design of the Breeder Reprocessing Engineering Test solvent extraction system. Initially, the computed availability for the five cycles of solvent extraction was less than the goal for the facility. Contributions to the downtime were identified. Improvements in specifications, design, and equipment configurations that raise the predicted availability are recommended.

  19. Optimizing modes of a small-scale combined-cycle power plant with atmospheric-pressure gasifier

    NASA Astrophysics Data System (ADS)

    Donskoi, I. G.; Marinchenko, A. Yu.; Kler, A. M.; Ryzhkov, A. F.

    2015-09-01

    The scheme of an integrated coal gasification combined-cycle power plant with small capacity is proposed. Using the built mathematical model a feasibility study of this unit was performed, taking into account the kinetics of physical and chemical transformations in the fuel bed. The estimates of technical and economic efficiency of the plant have been obtained and compared with the alternative options.

  20. SOLVENT EXTRACTION OF NEPTUNIUM

    DOEpatents

    Butler, J.P.

    1958-08-12

    A process is described for the recovery of neptuniunn from dissolver solutions by solvent extraction. The neptunium containing solution should be about 5N, in nitric acid.and about 0.1 M in ferrous ion. The organic extracting agent is tributyl phosphate, and the neptuniunn is recovered from the organic solvent phase by washing with water.

  1. Solvent-free synthesis

    EPA Science Inventory

    This chapter gives a brief introduction about solvent-free reactions whose importance can be gauged by the increasing number of publications every year during the last decade. The mechanistic aspects of the reactions under solvent-free conditions have been highlighted. Our observ...

  2. Solvent-free synthesis

    EPA Science Inventory

    This chapter gives a brief introduction about solvent-free reactions whose importance can be gauged by the increasing number of publications every year during the last decade. The mechanistic aspects of the reactions under solvent-free conditions have been highlighted. Our observ...

  3. The watershed-scale optimized and rearranged landscape design (WORLD) model and local biomass processing depots for sustainable biofuel production: Integrated life cycle assessments

    SciTech Connect

    Eranki, Pragnya L.; Manowitz, David H.; Bals, Bryan D.; Izaurralde, Roberto C.; Kim, Seungdo; Dale, Bruce E.

    2013-07-23

    An array of feedstock is being evaluated as potential raw material for cellulosic biofuel production. Thorough assessments are required in regional landscape settings before these feedstocks can be cultivated and sustainable management practices can be implemented. On the processing side, a potential solution to the logistical challenges of large biorefi neries is provided by a network of distributed processing facilities called local biomass processing depots. A large-scale cellulosic ethanol industry is likely to emerge soon in the United States. We have the opportunity to influence the sustainability of this emerging industry. The watershed-scale optimized and rearranged landscape design (WORLD) model estimates land allocations for different cellulosic feedstocks at biorefinery scale without displacing current animal nutrition requirements. This model also incorporates a network of the aforementioned depots. An integrated life cycle assessment is then conducted over the unified system of optimized feedstock production, processing, and associated transport operations to evaluate net energy yields (NEYs) and environmental impacts.

  4. Alternative Green Solvents Project

    NASA Technical Reports Server (NTRS)

    Maloney, Phillip R.

    2012-01-01

    Necessary for safe and proper functioning of equipment. Mainly halogenated solvents. Tetrachloride, Trichloroethylene (TCE), CFC-113. No longer used due to regulatory/safety concerns. Precision Cleaning at KSC: Small % of total parts. Used for liquid oxygen (LOX) systems. Dual solvent process. Vertrel MCA (decafluoropentane (DFP) and trons-dichloroethylene) HFE-7100. DFP has long term environmental concerns. Project Goals: a) Identify potential replacements. b) 22 wet chemical processes. c) 3 alternative processes. d) Develop test procedures. e) Contamination and cleaning. f) Analysis. g) Use results to recommend alternative processes. Conclusions: a) No alternative matched Vertrel in this study. b) No clear second place solvent. c) Hydrocarbons- easy; Fluorinated greases- difficult. d) Fluorinated component may be needed in replacement solvent. e) Process may need to make up for shortcoming of the solvent. f) Plasma and SCC02 warrant further testing.

  5. Model-based optimal design of active cool thermal energy storage for maximal life-cycle cost saving from demand management in commercial buildings

    SciTech Connect

    Cui, Borui; Gao, Dian-ce; Xiao, Fu; Wang, Shengwei

    2016-12-23

    This article provides a method in comprehensive evaluation of cost-saving potential of active cool thermal energy storage (CTES) integrated with HVAC system for demand management in non-residential building. The active storage is beneficial by shifting peak demand for peak load management (PLM) as well as providing longer duration and larger capacity of demand response (DR). In this research, a model-based optimal design method using genetic algorithm is developed to optimize the capacity of active CTES aiming for maximizing the life-cycle cost saving concerning capital cost associated with storage capacity as well as incentives from both fast DR and PLM. In the method, the active CTES operates under a fast DR control strategy during DR events while under the storage-priority operation mode to shift peak demand during normal days. The optimal storage capacities, maximum annual net cost saving and corresponding power reduction set-points during DR event are obtained by using the proposed optimal design method. Lastly, this research provides guidance in comprehensive evaluation of cost-saving potential of CTES integrated with HVAC system for building demand management including both fast DR and PLM.

  6. Model-based optimal design of active cool thermal energy storage for maximal life-cycle cost saving from demand management in commercial buildings

    DOE PAGES

    Cui, Borui; Gao, Dian-ce; Xiao, Fu; ...

    2016-12-23

    This article provides a method in comprehensive evaluation of cost-saving potential of active cool thermal energy storage (CTES) integrated with HVAC system for demand management in non-residential building. The active storage is beneficial by shifting peak demand for peak load management (PLM) as well as providing longer duration and larger capacity of demand response (DR). In this research, a model-based optimal design method using genetic algorithm is developed to optimize the capacity of active CTES aiming for maximizing the life-cycle cost saving concerning capital cost associated with storage capacity as well as incentives from both fast DR and PLM. Inmore » the method, the active CTES operates under a fast DR control strategy during DR events while under the storage-priority operation mode to shift peak demand during normal days. The optimal storage capacities, maximum annual net cost saving and corresponding power reduction set-points during DR event are obtained by using the proposed optimal design method. Lastly, this research provides guidance in comprehensive evaluation of cost-saving potential of CTES integrated with HVAC system for building demand management including both fast DR and PLM.« less

  7. The Analysis of Fixed Final State Optimal Control in Bilinear System Applied to Bone Marrow by Cell-Cycle Specific (CCS) Chemotherapy

    NASA Astrophysics Data System (ADS)

    Rainarli, E.; E Dewi, K.

    2017-04-01

    The research conducted by Fister & Panetta shown an optimal control model of bone marrow cells against Cell Cycle Specific chemotherapy drugs. The model used was a bilinear system model. Fister & Panetta research has proved existence, uniqueness, and characteristics of optimal control (the chemotherapy effect). However, by using this model, the amount of bone marrow at the final time could achieve less than 50 percent from the amount of bone marrow before given treatment. This could harm patients because the lack of bone marrow cells made the number of leukocytes declining and patients will experience leukemia. This research would examine the optimal control of a bilinear system that applied to fixed final state. It will be used to determine the length of optimal time in administering chemotherapy and kept bone marrow cells on the allowed level at the same time. Before simulation conducted, this paper shows that the system could be controlled by using a theory of Lie Algebra. Afterward, it shows the characteristics of optimal control. Based on the simulation, it indicates that strong chemotherapy drug given in a short time frame is the most optimal condition to keep bone marrow cells spine on the allowed level but still could put playing an effective treatment. It gives preference of the weight of treatment for keeping bone marrow cells. The result of chemotherapy’s effect (u) is not able to reach the maximum value. On the other words, it needs to make adjustments of medicine’s dosage to satisfy the final treatment condition e.g. the number of bone marrow cells should be at the allowed level.

  8. How many oocytes are optimal to achieve multiple live births with one stimulation cycle? The one-and-done approach.

    PubMed

    Vaughan, Denis A; Leung, Angela; Resetkova, Nina; Ruthazer, Robin; Penzias, Alan S; Sakkas, Denny; Alper, Michael M

    2017-02-01

    To study how many infertility patients would complete an average-sized family (achieve ≥2 live births) after a single, complete in vitro fertilization (IVF) cycle. A retrospective cohort study. University-affiliated private infertility practice. Women undergoing IVF. None. The outcome of 1 or ≥2 live births after a single retrieval cycle, followed by use of all embryos in subsequent frozen cycles in relation to oocyte number. The pregnancy rate was statistically significantly higher when ≥15 oocytes were retrieved (289 of 699, 41.3%) than <15 oocytes (518 of 1,419, 36.5%). When investigating the outcome of ≥2 live births and assuming that all remaining frozen embryos were used, we found that 498 of 2,226 (22.4%) patients would achieve ≥2 live births. We performed multivariate analysis, and the area under the receiver operating characteristic curve for the model was 0.802. When controlling for multiple factors we found that as the number of oocytes retrieved increased, the chance of at least two live births increased, with odds ratio 1.08 (8% live birth increase per additional oocyte). We demonstrate that one fresh cycle with high oocyte yield is an optimal way to plan IVF treatment. With modern cryopreservation methods, the concept of "one-and-done" could safely achieve ≥2 live births with just one stimulation cycle in almost a quarter of our patients. Copyright © 2016 American Society for Reproductive Medicine. Published by Elsevier Inc. All rights reserved.

  9. Thermodynamic analysis and optimization of the cycle parameters of regenerative gas-turbine converters for solar power stations /SGTS/

    NASA Astrophysics Data System (ADS)

    Drabkin, L. M.

    A thermodynamic analysis compares the efficiency of a simple solar-driven helium gas turbine generator with two improved schemes employing regeneration of heat from the recirculating working fluid. One scheme uses a recuperator based on direct heat exchange while the other recovers heat by thermoelectric conversion in addition to the recuperator. The specific area of the heat exchange surface is calculated along with other system parameters for maximum thermodynamic cycle efficiency. Gains of up to 15% are demonstrated.

  10. Decision Support Requirements in a Unified Life Cycle Engineering (ULCE) Environment. Volume 2. Conceptual Approaches to Optimization.

    DTIC Science & Technology

    1988-05-01

    optimal solution itself. The reasons for performing a detailed sensitivity analysis are given by Reklaitis , Ravindray and Ragsdell [Ref. 101: 1. To...1970. 9. Kirsch, U., Optimum Structural Design, McGraw-Hill, N.Y., 1981. 10. Reklaitis , G. V., A. Ravindran, and K. M. Ragsdell, Engineering

  11. Comparison of Optimal Thermodynamic Models of the Tricarboxylic Acid Cycle from Heterotrophs, Cyanobacteria, and Green Sulfur Bacteria

    SciTech Connect

    Thomas, Dennis G.; Jaramillo Riveri, Sebastian I.; Baxter, Douglas J.; Cannon, William R.

    2014-12-15

    We have applied a new stochastic simulation approach to predict the metabolite levels, energy flow, and material flux in the different oxidative TCA cycles found in E. coli and Synechococcus sp. PCC 7002, and in the reductive TCA cycle typical of chemolithoautotrophs and phototrophic green sulfur bacteria such as Chlorobaculum tepidum. The simulation approach is based on equations of state and employs an assumption similar to that used in transition state theory. The ability to evaluate the thermodynamics of metabolic pathways allows one to understand the relationship between coupling of energy and material gradients in the environment and the selforganization of stable biological systems, and it is shown that each cycle operates in the direction expected due to its environmental niche. The simulations predict changes in metabolite levels and flux in response to changes in cofactor concentrations that would be hard to predict without an elaborate model based on the law of mass action. In fact, we show that a thermodynamically unfavorable reaction can still have flux in the forward direction when it is part of a reaction network. The ability to predict metabolite levels, energy flow and material flux should be significant for understanding the dynamics of natural systems and for understanding principles for engineering organisms for production of specialty chemicals, such as biofuels.

  12. Optimization of the preparation of a catalyst under deactivation; Application to the operation in reaction-regeneration cycles

    SciTech Connect

    Aguayo, A.T.; Arandes, J.M.; Olazar, M.; Bilbao, J. )

    1989-09-01

    From the analytical relationship experimentally determined between the kinetic behavior in the 2-ethylhexanol dehydration on silica-aluminas prepared by silica gel impregnation and four control variables in the preparation (% Al/sub 2/O/sub 3/, drying temperature and pressure, and calcination temperature), optimum values of the preparation conditions of these catalysts have been calculated by means of a program of simulation of the catalyst utilization in reaction-regeneration cycles. Reaction-regeneration cycles have been carried out in an automated reactor under, previously calculated, optimum operating conditions. In these cycles, the catalyst used is the one prepared under the optimum values of the variables. In the same way, the optimum properties have been calculated, that is, the surface area, the pore volume, the total acidity, and the strong acidity that the silica-alumina catalysts must have for the studied reaction. Later, the effect of each of the properties in the production was analyzed. Results of the analysis are described.

  13. Comparison of Optimal Thermodynamic Models of the Tricarboxylic Acid Cycle from Heterotrophs, Cyanobacteria, and Green Sulfur Bacteria.

    PubMed

    Thomas, Dennis G; Jaramillo-Riveri, Sebastian; Baxter, Douglas J; Cannon, William R

    2014-12-26

    We have applied a new stochastic simulation approach to predict the metabolite levels, material flux, and thermodynamic profiles of the oxidative TCA cycles found in E. coli and Synechococcus sp. PCC 7002, and in the reductive TCA cycle typical of chemolithoautotrophs and phototrophic green sulfur bacteria such as Chlorobaculum tepidum. The simulation approach is based on modeling states using statistical thermodynamics and employs an assumption similar to that used in transition state theory. The ability to evaluate the thermodynamics of metabolic pathways allows one to understand the relationship between coupling of energy and material gradients in the environment and the self-organization of stable biological systems, and it is shown that each cycle operates in the direction expected due to its environmental niche. The simulations predict changes in metabolite levels and flux in response to changes in cofactor concentrations that would be hard to predict without an elaborate model based on the law of mass action. In fact, we show that a thermodynamically unfavorable reaction can still have flux in the forward direction when it is part of a reaction network. The ability to predict metabolite levels, energy flow, and material flux should be significant for understanding the dynamics of natural systems and for understanding principles for engineering organisms for production of specialty chemicals.

  14. Towards ultra-fast solvent evaporation, the development of a computer controlled solvent vapor annealing chamber

    NASA Astrophysics Data System (ADS)

    Nelson, Gunnar; Wong, J.; Drapes, C.; Grant, M.; Baruth, A.

    Despite the promise of cheap and fast nanoscale ordering of block polymer thin films via solvent vapor annealing, a standardized, scalable production scheme remains elusive. Solvent vapor annealing exposes a nano-thin film to the vapors of one or more solvents with the goal of forming a swollen and mobile state to direct the self-assembly process by tuning surface energies and mediating unfavorable chain interactions. We have shown that optimized annealing conditions, where kinetic and thermal properties for crystal growth are extremely fast (<1s), exist at solvent concentrations just below the order-disorder transition of the film. However, when investigating the propagation of a given morphology into the bulk of a film during drying, the role of solvent evaporation comes under great scrutiny. During this process, the film undergoes a competition between two fronts; phase separation and kinetic trapping. Recent results in both theory and experiment point toward this critical element in controlling the resultant morphologies; however, no current method includes a controllable solvent evaporation rate at ultra-fast time scales. We report on a computer-controlled, pneumatically actuated chamber that provides control over solvent evaporation down to 15 ms. Furthermore, in situ spectral reflectance monitors solvent concentration with 10 ms temporal resolution and reveals several possible evaporation trajectories, ranging from linear to exponential to logarithmic. Funded by Dr. Randolph Ferlic Summer Research Scholarship and NASA Nebraska Space Grant.

  15. SOLVENT EXTRACTION PROCESS

    DOEpatents

    Jonke, A.A.

    1957-10-01

    In improved solvent extraction process is described for the extraction of metal values from highly dilute aqueous solutions. The process comprises contacting an aqueous solution with an organic substantially water-immiscible solvent, whereby metal values are taken up by a solvent extract phase; scrubbing the solvent extract phase with an aqueous scrubbing solution; separating an aqueous solution from the scrubbed solvent extract phase; and contacting the scrubbed solvent phase with an aqueous medium whereby the extracted metal values are removed from the solvent phase and taken up by said medium to form a strip solution containing said metal values, the aqueous scrubbing solution being a mixture of strip solution and an aqueous solution which contains mineral acids anions and is free of the metal values. The process is particularly effective for purifying uranium, where one starts with impure aqueous uranyl nitrate, extracts with tributyl phosphate dissolved in carbon tetrachloride, scrubs with aqueous nitric acid and employs water to strip the uranium from the scrubbed organic phase.

  16. Solvent alternatives guide

    SciTech Connect

    Elion, J.M.; Monroe, K.R.; Hill, E.A.

    1996-06-01

    It is no longer legal to manufacture or import chlorofluorocarbon 113 or methyl chloroform solvents, and companies that currently clean their parts with either material are now required to implement environmentally safe substitutes. To help find alternative methods, Research Triangle Institute`s Surface Cleaning Technology Program has designed a Solvent Alternatives Guide (SAGE), an online tool that enables access to practical information and recommendations for acceptable solvents. Developed in partnership with the US Environmental Protection Agency, SAGE is available free of charge on the Internet`s World Wide Web.

  17. Optimal Micro-Scale Secondary Flow Control for the Management of High Cycle Fatigue and Distortion in Compact Inlet Diffusers

    NASA Technical Reports Server (NTRS)

    Anderson, Bernhard H.; Keller, Dennis J.

    2002-01-01

    The purpose of this study on micro-scale secondary flow control (MSFC) is to study the aerodynamic behavior of micro-vane effectors through their factor (i.e., the design variable) interactions and to demonstrate how these statistical interactions, when brought together in an optimal manner, determine design robustness. The term micro-scale indicates the vane effectors are small in comparison to the local boundary layer height. Robustness in this situation means that it is possible to design fixed MSFC robust installation (i.e.. open loop) which operates well over the range of mission variables and is only marginally different from adaptive (i.e., closed loop) installation design, which would require a control system. The inherent robustness of MSFC micro-vane effector installation designs comes about because of their natural aerodynamic characteristics and the manner in which these characteristics are brought together in an optimal manner through a structured Response Surface Methodology design process.

  18. Optimization of green infrastructure network at semi-urbanized watersheds to manage stormwater volume, peak flow and life cycle cost: Case study of Dead Run watershed in Maryland

    NASA Astrophysics Data System (ADS)

    Heidari Haratmeh, B.; Rai, A.; Minsker, B. S.

    2016-12-01

    Green Infrastructure (GI) has become widely known as a sustainable solution for stormwater management in urban environments. Despite more recognition and acknowledgment, researchers and practitioners lack clear and explicit guidelines on how GI practices should be implemented in urban settings. This study is developing a noisy-based multi-objective, multi-scaled genetic algorithm that determines optimal GI networks for environmental, economic and social objectives. The methodology accounts for uncertainty in modeling results and is designed to perform at sub-watershed as well as patch scale using two different simulation models, SWMM and RHESSys, in a Cloud-based implementation using a Web interface. As an initial case study, a semi-urbanized watershed— DeadRun 5— in Baltimore County, Maryland, is selected. The objective of the study is to minimize life cycle cost, maximize human preference for human well-being and the difference between pre-development hydrographs generated from current rainfall events and design storms, as well as those that result from proposed GI scenarios. Initial results for DeadRun5 watershed suggest that placing GI in the proximity of the watershed outlet optimizes life cycle cost, stormwater volume, and peak flow capture. The framework can easily present outcomes of GI design scenarios to both designers and local stakeholders, and future plans include receiving feedback from users on candidate designs, and interactively updating optimal GI network designs in a crowd-sourced design process. This approach can also be helpful in deriving design guidelines that better meet stakeholder needs.

  19. Orthogonal test design for optimization of suitable conditions to separate C-phycocyanin from Spirulina platensis by high-speed counter-current chromatography using reverse micelle solvent system.

    PubMed

    Yin, Lianhong; Xu, Lina; Yu, Kun; Zhen, Yuhong; Han, Xu; Xu, Youwei; Qi, Yan; Peng, Jinyong; Tan, Aiping

    2011-06-01

    High-speed counter-current chromatography (HSCCC) was applied to separate C-phycocyanin (C-PC) from Spirulina platensis in the article. The suitable conditions were optimized by an orthogonal test design (L(9)(3)(3)), including the stationary phase of reverse micelle solvent system (0.10 g/mL cetyltrimethylammonium bromide [CTAB]/isooctane-hexylalcohol), mobile phase A (0.05 mol/L sodium phosphate buffer, pH 4.0, containing 0.2 mol/L KCl) and mobile phase B (0.05 mol/L sodium phosphate buffer, pH 8.0, containing 0.4 mol/L KCl). Under the selected conditions, 78.7 mg protein was purified from 200 mg crude extract of S. platensis, and the purity of the product was 4.25 based on the absorbance ratio of A(620)/A(280) , which was increased 6.85 times compared with the crude extract. Then, the protein was identified to be C-PC by MALDI-TOF/TOF-MS and sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE) analysis compared with the standard. The application of HSCCC used in the separation of C-PC from S. platensis was first reported in the article. Furthermore, three kinds of tumor cell lines including human hepatoma cell line SMMC-7721, human ovarian carcinoma cell line ES-2, and human lung adenocarcinoma cell line SPCA-1 were used to evaluate the anticancer activities of the separated product, and the results showed that the separated C-PC had excellent anti-tumor actions with the IC(50) values at 2.998, 4.854, and 8.423 μg/mL, respectively, for 48 h treatment. The outcome indicates that an effective method for C-PC purification by HSCCC has been established.

  20. Use of manometric temperature measurement (MTM) and SMART freeze dryer technology for development of an optimized freeze-drying cycle.

    PubMed

    Gieseler, Henning; Kramer, Tony; Pikal, Michael J

    2007-12-01

    This report provides, for the first time, a summary of experiments using SMART Freeze Dryer technology during a 9 month testing period. A minimum ice sublimation area of about 300 cm(2) for the laboratory freeze dryer, with a chamber volume 107.5 L, was found consistent with data obtained during previous experiments with a smaller freeze dryer (52 L). Good reproducibility was found for cycle design with different type of excipients, formulations, and vials used. SMART primary drying end point estimates were accurate in the majority of the experiments, but showed an over prediction of primary cycle time when the product did not fully achieve steady state conditions before the first MTM measurement was performed. Product resistance data for 5% sucrose mixtures at varying fill depths were very reproducible. Product temperature determined by SMART was typically in good agreement with thermocouple data through about 50% of primary drying time, with significant deviations occurring near the end of primary drying, as expected, but showing a bias much earlier in primary drying for high solid content formulations (16.6% Pfizer product) and polyvinylpyrrolidone (40 kDa) likely due to water "re-adsorption" by the amorphous product during the MTM test. (c) 2007 Wiley-Liss, Inc.

  1. CHLORINATED SOLVENT PLUME CONTROL

    EPA Science Inventory

    This lecture will cover recent success in controlling and assessing the treatment of shallow ground water plumes of chlorinated solvents, other halogenated organic compounds, and methyl tert-butyl ether (MTBE).

  2. CHLORINATED SOLVENT PLUME CONTROL

    EPA Science Inventory

    This lecture will cover recent success in controlling and assessing the treatment of shallow ground water plumes of chlorinated solvents, other halogenated organic compounds, and methyl tert-butyl ether (MTBE).

  3. Continuous countercurrent membrane column for the separation of solute/solvent and solvent/solvent systems

    DOEpatents

    Nerad, Bruce A.; Krantz, William B.

    1988-01-01

    A reverse osmosis membrane process or hybrid membrane - complementary separator process for producing enriched product or waste streams from concentrated and dilute feed streams for both solvent/solvent and solute/solvent systems is described.

  4. SU-E-T-266: Development of Evaluation System of Optimal Synchrotron Controlling Parameter for Spot Scanning Proton Therapy with Multiple Gate Irradiations in One Operation Cycle

    SciTech Connect

    Yamada, T; Fujii, Y; Miyamoto, N; Matsuura, T; Takao, S; Matsuzaki, Y; Koyano, H; Shirato, H; Nihongi, H; Umezawa, M; Matsuda, K; Umegaki, K

    2015-06-15

    Purpose: We have developed a gated spot scanning proton beam therapy system with real-time tumor-tracking. This system has the ability of multiple-gated irradiation in a single synchrotron operation cycle controlling the wait-time for consecutive gate signals during a flat-top phase so that the decrease in irradiation efficiency induced by irregular variation of gate signal is reduced. Our previous studies have shown that a 200 ms wait-time is appropriate to increase the average irradiation efficiency, but the optimal wait-time can vary patient by patient and day by day. In this research, we have developed an evaluation system of the optimal wait-time in each irradiation based on the log data of the real-time-image gated proton beam therapy (RGPT) system. Methods: The developed system consists of logger for operation of RGPT system and software for evaluation of optimal wait-time. The logger records timing of gate on/off, timing and the dose of delivered beam spots, beam energy and timing of X-ray irradiation. The evaluation software calculates irradiation time in the case of different wait-time by simulating the multiple-gated irradiation operation using several timing information. Actual data preserved in the log data are used for gate on and off time, spot irradiation time, and time moving to the next spot. Design values are used for the acceleration and deceleration times. We applied this system to a patient treated with the RGPT system. Results: The evaluation system found the optimal wait-time of 390 ms that reduced the irradiation time by about 10 %. The irradiation time with actual wait-time used in treatment was reproduced with accuracy of 0.2 ms. Conclusion: For spot scanning proton therapy system with multiple-gated irradiation in one synchrotron operation cycle, an evaluation system of the optimal wait-time in each irradiation based on log data has been developed. Funding Support: Japan Society for the Promotion of Science (JSPS) through the FIRST

  5. SOLVENT EXTRACTION OF RUTHENIUM

    DOEpatents

    Hyman, H.H.; Leader, G.R.

    1959-07-14

    The separation of rathenium from aqueous solutions by solvent extraction is described. According to the invention, a nitrite selected from the group consisting of alkali nitrite and alkaline earth nitrite in an equimolecular quantity with regard to the quantity of rathenium present is added to an aqueous solution containing ruthenium tetrantrate to form a ruthenium complex. Adding an organic solvent such as ethyl ether to the resulting mixture selectively extracts the rathenium complex.

  6. Supercritical solvent coal extraction

    NASA Technical Reports Server (NTRS)

    Compton, L. E. (Inventor)

    1984-01-01

    Yields of soluble organic extract are increased up to about 50% by the supercritical extraction of particulate coal at a temperature below the polymerization temperature for coal extract fragments (450 C.) and a pressure from 500 psig to 5,000 psig by the conjoint use of a solvent mixture containing a low volatility, high critical temperature coal dissolution catalyst such as phenanthrene and a high volatility, low critical temperature solvent such as toluene.

  7. Cleaning without chlorinated solvents

    NASA Technical Reports Server (NTRS)

    Thompson, L. M.; Simandl, R. F.

    1995-01-01

    Because of health and environmental concerns, many regulations have been passed in recent years regarding the use of chlorinated solvents. The Oak Ridge Y-12 Plant has had an active program to find alternatives for these solvents used in cleaning applications for the past 7 years. During this time frame, the quantity of solvents purchased has been reduced by 92 percent. The program has been a twofold effort. Vapor degreasers used in batch cleaning operations have been replaced by ultrasonic cleaning with aqueous detergent, and other organic solvents have been identified for use in hand-wiping or specialty operations. In order to qualify these alternatives for use, experimentation was conducted on cleaning ability as well as effects on subsequent operations such as welding, painting, and bonding. Cleaning ability was determined using techniques such as x-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) which are capable of examining monolayer levels of contamination on a surface. Solvents have been identified for removal of rust preventative oils, lapping oils, machining coolants, lubricants, greases, and mold releases. Solvents have also been evaluated for cleaning urethane foam spray guns, swelling of urethanes, and swelling of epoxies.

  8. Cleaning without chlorinated solvents

    SciTech Connect

    Thompson, L.M.; Simandl, R.F.

    1994-12-31

    Because of health and environmental concerns, many regulations have been passed in recent years regarding the use of chlorinated solvents. The Oak Ridge Y-12 Plant has had an active program to find alternatives for these solvents used in cleaning applications for the past 7 years. During this time frame, the quantity of solvents purchased has been reduced by 92%. The program has been a twofold effort. Vapor degreasers used in batch cleaning-operations have been replaced by ultrasonic cleaning with aqueous detergent, and other organic solvents have been identified for use in hand-wiping or specialty operations. In order to qualify these alternatives for use, experimentation was conducted on cleaning ability as well as effects on subsequent operations such as welding, painting and bonding. Cleaning ability was determined using techniques such as X-ray photoelectron spectroscopy (XPS) and Fourier Transform Infrared Spectroscopy (FTIR) which are capable of examining monolayer levels of contamination on a surface. Solvents have been identified for removal of rust preventative oils, lapping oils, machining coolants, lubricants, greases, and mold releases. Solvents have also been evaluated for cleaning urethane foam spray guns, swelling of urethanes and swelling of epoxies.

  9. Biofiltration of solvent vapors from air

    SciTech Connect

    Oh, Young-sook.

    1993-01-01

    For various industrial solvent vapors, biofiltration promises to offer a cost-effective emission control technology. Exploiting the full potential of this technology will help attain the goals of the Clean Air Act Amendments of 1990. Concentrating on large volumes of volatile industrial solvents, stable multicomponent microbial enrichments capable of growing a mineral medium with solvent vapors as their only source of carbon and energy were obtained from soil and sewage sludge. These consortia were immobilized on an optimized porous solid support (ground peat moss and perlite). The biofilter material was packed in glass columns connected to an array of pumps and flow meters that allowed the independent variation of superficial velocity and solvent vapor concentrations. In various experiments, single solvents, such as methanol, butanol, acetonitrile, hexane and nitrobenzene, and solvent mixtures, such as benzene-toluene-xylene (BTX) and chlorobenzene-o-dichlorobenzene (CB/DCB) were biofiltered with rates ranging from 15 to334 g solvent removed per m[sup 3] filter volume /h. Pressure drops were low to moderate (0-10 mmHg/m) and with periodic replacement of moisture, the biofiltration activity could be maintained for a period of several months. The experimental data on methanol biofiltration were subjected to mathematical analysis and modeling by the group of Dr. Baltzis at NJIT for a better understanding and a possible scale up of solvent vapor biofilters. In the case of chlorobenzenes and nitrobenzene, the biofilter columns had to be operated with water recirculation in a trickling filter mode. To prevent inactivation of the trickling filter by acidity during CB/DCB removal, pH control was necessary, and the removal rate of CB/DCB was strongly influenced by the flow rate of the recyling water. Nitrobenzene removal in a trickling filter did not require pH control, since the nitro group was reduced and volatilized as ammonia.

  10. Optimal Cycle Time and Preservation Technology Investment for Deteriorating Items with Price-sensitive Stock-dependent Demand Under Inflation

    NASA Astrophysics Data System (ADS)

    Shah, Nita H.; Shah, Arpan D.

    2014-04-01

    The article analyzes economic order quantity for the retailer who has to handle imperfect quality of the product and the units are subject to deteriorate at a constant rate. To control deterioration of the units in inventory, the retailer has to deploy advanced preservation technology. Another challenge for the retailer is to have perfect quality product. This requires mandatory inspection during the production process. This model is developed with the condition of random fraction of defective items. It is assumed that after inspection, the screened defective items are sold at a discounted rate instantly. Demand is considered to be price-sensitive stock-dependent. The model is incorporating effect of inflation which is critical factor globally. The objective is to maximize profit of the retailer with respect to preservation technology investment, order quantity and cycle time. The numerical example is given to validate the proposed model. Sensitivity analysis is carried out to work out managerial issues.

  11. Determination of pharmaceuticals in biosolids using accelerated solvent extraction and liquid chromatography/tandem mass spectrometry.

    PubMed

    Ding, Yunjie; Zhang, Weihao; Gu, Cheng; Xagoraraki, Irene; Li, Hui

    2011-01-07

    An analytical method was developed to quantitatively determine pharmaceuticals in biosolid (treated sewage sludge) from wastewater treatment plants (WWTPs). The collected biosolid samples were initially freeze dried, and grounded to obtain relatively homogenized powders. Pharmaceuticals were extracted using accelerated solvent extraction (ASE) under the optimized conditions. The optimal operation parameters, including extraction solvent, temperature, pressure, extraction time and cycles, were identified to be acetonitrile/water mixture (v/v 7:3) as extraction solvent with 3 extraction cycles (15 min for each cycle) at 100 °C and 100 bars. The extracts were cleaned up using solid-phase extraction followed by determination by liquid chromatography coupled with tandem mass spectrometry. For the 15 target pharmaceuticals commonly found in the environment, the overall method recoveries ranged from 49% to 68% for tetracyclines, 64% to 95% for sulfonamides, and 77% to 88% for other pharmaceuticals (i.e. acetaminophen, caffeine, carbamazepine, erythromycin, lincomycin and tylosin). The developed method was successfully validated and applied to the biosolid samples collected from WWTPs located in six cities in Michigan. Among the 15 target pharmaceuticals, 14 pharmaceuticals were detected in the collected biosolid samples. The average concentrations ranged from 2.6 μg/kg for lincomycin to 743.6 μg/kg for oxytetracycline. These results indicated that pharmaceuticals could survive wastewater treatment processes, and accumulate in sewage sludge and biosolids. Subsequent land application of the contaminated biosolids could lead to the dissemination of pharmaceuticals in soil and water environment, which poses potential threats to at-risk populations in the receiving ecosystems. Copyright © 2010 Elsevier B.V. All rights reserved.

  12. Application of accelerated solvent extraction to the investigation of saikosaponins from the roots of Bupleurum falcatum.

    PubMed

    Li, Wei; Liu, Zhengbo; Wang, Zi; Chen, Li; Sun, Yinshi; Hou, Jingang; Zheng, Yinan

    2010-06-01

    Accelerated solvent extraction (ASE) was applied to the extraction of saikosaponin a, saikosaponin c and saikosaponin d from the roots of Bupleurum falcatum. Main extraction parameters such as the extraction solvents, extraction temperature and static extraction time were investigated and optimized. The optimized procedure employed 70% methanol as extraction solvent, 120 degrees C of extraction temperature, 10 min of static extraction time, 60% of flush volume and the extraction recoveries of the three compounds were near to 100% with one extraction cycle. The extracted samples were analyzed by HPLC with UV detector. The HPLC conditions were as follows: Hypersil ODS2 (4.6 mmx250 mm, 5 microm) column, acetonitrile and water as mobile phase, flow rate of 1.0 mL/min, UV detection wavelength of 204 nm and injection volume of 20 microL. Compared with the traditional methods including heat-reflux extraction and ultrasonic-assisted extraction, the proposed ASE method was more efficient and faster to be operated. The results indicated that ASE was an alternative method for extracting saikosaponins from the roots of B. falcatum.

  13. System to improve the Understanding of Collected Logistic Data, to Optimize Cycle-Time and Delivery Performance

    NASA Astrophysics Data System (ADS)

    van Rooijen, Wim-Jan; Rodriguez, Ben

    2002-12-01

    A complex production mask-house faces the issue of handling and understanding the logistics information from the production process of the masks. We managed to control key performance indicators like cycle-time, flow-factor, line-speed, WIP, etc. To improve the line flow, we set-up rules for optimising batching at operations and forbid batching between operations, we defined maximum and minimum WIP at the operations, scheduled urgency of the different lots and built rules for bottleneck management. Also we restricted the number of "hot lots". By migrating to the modern MES (manufacturing execution system) MaTISSe, which manages the shopfloor control, and a reporting database, we are able to eliminate the time deviations within our data, caused by data-extraction for different reports at different moments. This gives us a better understanding of our fixed bottleneck and a faster recognition of the temporarily bottlenecks caused by missing availability of machines or men. In this paper we describe the features and advantages of our new MES, as well as the migration process. We have already achieved considerable benefits. Our plan is to extend decision support within the MES, to help both managers and operators to make the right decisions. The project behind this paper reaped major benefits described here and we are looking forward to further challenges and successes.

  14. Systematic engineering of TCA cycle for optimal production of a four-carbon platform chemical 4-hydroxybutyric acid in Escherichia coli.

    PubMed

    Choi, Sol; Kim, Hyun Uk; Kim, Tae Yong; Lee, Sang Yup

    2016-11-01

    To address climate change and environmental problems, it is becoming increasingly important to establish biorefineries for the production of chemicals from renewable non-food biomass. Here we report the development of Escherichia coli strains capable of overproducing a four-carbon platform chemical 4-hybroxybutyric acid (4-HB). Because 4-HB production is significantly affected by aeration level, genome-scale metabolic model-based engineering strategies were designed under aerobic and microaerobic conditions with emphasis on oxidative/reductive TCA branches and glyoxylate shunt. Several different metabolic engineering strategies were employed to develop strains suitable for fermentation both under aerobic and microaerobic conditions. It was found that microaerobic condition was more efficient than aerobic condition in achieving higher titer and productivity of 4-HB. The final engineered strain produced 103.4g/L of 4-HB by microaerobic fed-batch fermentation using glycerol. The aeration-dependent optimization strategy of TCA cycle will be useful for developing microbial strains producing other reduced derivative chemicals of TCA cycle intermediates.

  15. Final Report: Modifications and Optimization of the Organic Rankine Cycle to Improve the Recovery of Waste Heat

    SciTech Connect

    Donna Post Guillen; Jalal Zia

    2013-09-01

    This research and development (R&D) project exemplifies a shared public private commitment to advance the development of energy efficient industrial technologies that will reduce the U.S. dependence upon foreign oil, provide energy savings and reduce greenhouse gas emissions. The purpose of this project was to develop and demonstrate a Direct Evaporator for the Organic Rankine Cycle (ORC) for the conversion of waste heat from gas turbine exhaust to electricity. In conventional ORCs, the heat from the exhaust stream is transferred indirectly to a hydrocarbon based working fluid by means of an intermediate thermal oil loop. The Direct Evaporator accomplishes preheating, evaporation and superheating of the working fluid by a heat exchanger placed within the exhaust gas stream. Direct Evaporation is simpler and up to 15% less expensive than conventional ORCs, since the secondary oil loop and associated equipment can be eliminated. However, in the past, Direct Evaporation has been avoided due to technical challenges imposed by decomposition and flammability of the working fluid. The purpose of this project was to retire key risks and overcome the technical barriers to implementing an ORC with Direct Evaporation. R&D was conducted through a partnership between the Idaho National Laboratory (INL) and General Electric (GE) Global Research Center (GRC). The project consisted of four research tasks: (1) Detailed Design & Modeling of the ORC Direct Evaporator, (2) Design and Construction of Partial Prototype Direct Evaporator Test Facility, (3) Working Fluid Decomposition Chemical Analyses, and (4) Prototype Evaluation. Issues pertinent to the selection of an ORC working fluid, along with thermodynamic and design considerations of the direct evaporator, were identified. The FMEA (Failure modes and effects analysis) and HAZOP (Hazards and operability analysis) safety studies performed to mitigate risks are described, followed by a discussion of the flammability analysis of the

  16. Separation by solvent extraction

    DOEpatents

    Holt, Jr., Charles H.

    1976-04-06

    17. A process for separating fission product values from uranium and plutonium values contained in an aqueous solution, comprising adding an oxidizing agent to said solution to secure uranium and plutonium in their hexavalent state; contacting said aqueous solution with a substantially water-immiscible organic solvent while agitating and maintaining the temperature at from -1.degree. to -2.degree. C. until the major part of the water present is frozen; continuously separating a solid ice phase as it is formed; separating a remaining aqueous liquid phase containing fission product values and a solvent phase containing plutonium and uranium values from each other; melting at least the last obtained part of said ice phase and adding it to said separated liquid phase; and treating the resulting liquid with a new supply of solvent whereby it is practically depleted of uranium and plutonium.

  17. Halogenated solvent remediation

    DOEpatents

    Sorenson, Jr., Kent S.

    2008-11-11

    Methods for enhancing bioremediation of ground water contaminated with nonaqueous halogenated solvents are disclosed. An illustrative method includes adding an electron donor for microbe-mediated anaerobic reductive dehalogenation of the halogenated solvents, which electron donor enhances mass transfer of the halogenated solvents from residual source areas into the aqueous phase of the ground water. Illustrative electron donors include C.sub.2-C.sub.4 carboxylic acids and hydroxy acids, salts thereof, esters of C.sub.2-C.sub.4 carboxylic acids and hydroxy acids, and mixtures thereof, of which lactic acid, salts of lactic acid--such as sodium lactate, lactate esters, and mixtures thereof are particularly illustrative. The microbes are either indigenous to the ground water, or such microbes can be added to the ground water in addition to the electron donor.

  18. Halogenated solvent remediation

    DOEpatents

    Sorenson, Kent S.

    2004-08-31

    Methods for enhancing bioremediation of ground water contaminated with nonaqueous halogenated solvents are disclosed. A preferred method includes adding a composition to the ground water wherein the composition is an electron donor for microbe-mediated reductive dehalogenation of the halogenated solvents and enhances mass transfer of the halogenated solvents from residual source areas into the aqueous phase of the ground water. Illustrative compositions effective in these methods include surfactants such as C.sub.2 -C.sub.4 carboxylic acids and hydroxy acids, salts thereof, esters of C.sub.2 -C.sub.4 carboxylic acids and hydroxy acids, and mixtures thereof. Especially preferred compositions for use in these methods include lactic acid, salts of lactic acid, such as sodium lactate, lactate esters, and mixtures thereof. The microbes are either indigenous to the ground water, or such microbes can be added to the ground water in addition to the composition.

  19. Solvent resistant copolyimide

    NASA Technical Reports Server (NTRS)

    Chang, Alice C. (Inventor); St. Clair, Terry L. (Inventor)

    1995-01-01

    A solvent resistant copolyimide was prepared by reacting 4,4'-oxydiphthalic anhydride with a diaimine blend comprising, based on the total amount of the diamine blend, about 75 to 90 mole percent of 3,4'-oxydianiline and about 10 to 25 mole percent p-phenylene diamine. The solvent resistant copolyimide had a higher glass transition temperature when cured at 350.degree. , 371.degree. and 400.degree. C. than LaRC.TM.-IA. The composite prepared from the copolyimide had similar mechanical properties to LaRC.TM.-IA. Films prepared from the copolyimide were resistant to immediate breakage when exposed to solvents such as dimethylacetamide and chloroform. The adhesive properties of the copolyimide were maintained even after testing at 23.degree., 150.degree., 177.degree. and 204.degree. C.

  20. Safe battery solvents

    DOEpatents

    Harrup, Mason K.; Delmastro, Joseph R.; Stewart, Frederick F.; Luther, Thomas A.

    2007-10-23

    An ion transporting solvent maintains very low vapor pressure, contains flame retarding elements, and is nontoxic. The solvent in combination with common battery electrolyte salts can be used to replace the current carbonate electrolyte solution, creating a safer battery. It can also be used in combination with polymer gels or solid polymer electrolytes to produce polymer batteries with enhanced conductivity characteristics. The solvents may comprise a class of cyclic and acyclic low molecular weight phosphazenes compounds, comprising repeating phosphorus and nitrogen units forming a core backbone and ion-carrying pendent groups bound to the phosphorus. In preferred embodiments, the cyclic phosphazene comprises at least 3 phosphorus and nitrogen units, and the pendent groups are polyethers, polythioethers, polyether/polythioethers or any combination thereof, and/or other groups preferably comprising other atoms from Group 6B of the periodic table of elements.

  1. Solvent immersion imprint lithography.

    PubMed

    Vasdekis, A E; Wilkins, M J; Grate, J W; Kelly, R T; Konopka, A E; Xantheas, S S; Chang, T-M

    2014-06-21

    We present Solvent Immersion Imprint Lithography (SIIL), a technique for polymer functionalization and microsystem prototyping. SIIL is based on polymer immersion in commonly available solvents. This was experimentally and computationally analyzed, uniquely enabling two practical aspects. The first is imprinting and bonding deep features that span the 1 to 100 μm range, which are unattainable with existing solvent-based methods. The second is a functionalization scheme characterized by a well-controlled, 3D distribution of chemical moieties. SIIL is validated by developing microfluidics with embedded 3D oxygen sensors and microbioreactors for quantitative metabolic studies of a thermophile anaerobe microbial culture. Polystyrene (PS) was employed in the aforementioned applications; however all soluble polymers - including inorganic ones - can be employed with SIIL under no instrumentation requirements and typical processing times of less than two minutes.

  2. Comparison of Implicit and Explicit Solvent Models for the Calculation of Solvation Free Energy in Organic Solvents.

    PubMed

    Zhang, Jin; Zhang, Haiyang; Wu, Tao; Wang, Qi; van der Spoel, David

    2017-03-14

    Quantitative prediction of physical properties of liquids is important for many applications. Computational methods based on either explicit or implicit solvent models can be used to approximate thermodynamics properties of liquids. Here, we evaluate the predictive power of implicit solvent models for solvation free energy of organic molecules in organic solvents. We compared the results calculated with four generalized Born (GB) models (GB(Still), GB(HCT), GB(OBC)I, and GB(OBC)II), the Poisson-Boltzmann (PB) model, and the density-based solvent model SMD with previous solvation free energy calculations (Zhang et al. J. Chem. Inf. 2015, 55, 1192-1201) and experimental data. The comparison indicates that both PB and GB give poor agreement with explicit solvent calculations and even worse agreement with experiments (root-mean-square deviation ≈ 15 kJ/mol). The main problem seems to be the prediction of the apolar contribution, which should include the solvent entropy. The quantum mechanical-based SMD model gives significantly better agreement with experimental data than do PB or GB, but it is not as good as explicit solvent calculation results. The dielectric constant ε of the solvent is found to be a powerful predictor for the polar contribution to the free energy in implicit models; however, the Onsager relation may not hold for realistic solvent, as suggested by explicit solvent and SMD calculations. From the comparison, we also find that with an optimization of the apolar contribution, the PB model gives slightly better agreement with experiments than the SMD model, whereas the correlation between the optimized GB models and experiments remains poor. Further optimization of the apolar contribution is needed for GB models to be able to treat solvents other than water.

  3. Rational development of solvent system families in counter-current chromatography.

    PubMed

    Friesen, J Brent; Pauli, Guido F

    2007-06-01

    Application of a mixture of 21 commercially available natural products, termed the GUESSmix, established a standard test that allows for a systematic analysis and comparison of the properties of biphasic solvent systems in counter-current/partition chromatography. Because the GUESSmix is comprised of compounds with varying polarities, functional groups, and structural features, it proves to be a rational method for mapping the optimal resolution polarity range of a particular solvent system. The mapping of optimal resolution polarity ranges of solvent systems provided for the description of the overall optimal resolution polarity range of a solvent system family, comprised of the same solvents in different proportions. By comparing the GUESSmix performance in the individual members of a solvent system family, the solvent system that best functions as the representative of, or portal to, the solvent system families was determined. The GUESSmix also afforded a method to compare the overall optimal resolution polarity ranges of solvent system families. Based on performance of GUESSmix chromatograms, the counter-current chromatography (CCC) properties of a two ternary literature solvent systems, ethyl acetate/n-butanol/water (EBuWat) and t-butylmethylether/acetonitrile/water (terAcWat), were explored in order to contrast and compare their CCC potential. A quaternary solvent system, hexane/t-butylmethylether/acetonitrile/water (HterAcWat), was also formulated and studied. The results indicated that the GUESSmix is fit for the purpose of developing and evaluating CCC solvent system families with desired performance characteristics.

  4. Optimization and life-cycle cost of health clinic PV system for a rural area in southern Iraq using HOMER software

    SciTech Connect

    Al-Karaghouli, Ali; Kazmerski, L.L.

    2010-04-15

    This paper addresses the need for electricity of rural areas in southern Iraq and proposes a photovoltaic (PV) solar system to power a health clinic in that region. The total daily health clinic load is 31.6 kW h and detailed loads are listed. The National Renewable Energy Laboratory (NREL) optimization computer model for distributed power, ''HOMER,'' is used to estimate the system size and its life-cycle cost. The analysis shows that the optimal system's initial cost, net present cost, and electricity cost is US$ 50,700, US$ 60,375, and US$ 0.238/kW h, respectively. These values for the PV system are compared with those of a generator alone used to supply the load. We found that the initial cost, net present cost of the generator system, and electricity cost are US$ 4500, US$ 352,303, and US$ 1.332/kW h, respectively. We conclude that using the PV system is justified on humanitarian, technical, and economic grounds. (author)

  5. Assimilation of seasonal chlorophyll and nutrient data into an adjoint three-dimensional ocean carbon cycle model: Sensitivity analysis and ecosystem parameter optimization

    NASA Astrophysics Data System (ADS)

    Tjiputra, Jerry F.; Polzin, Dierk; Winguth, Arne M. E.

    2007-03-01

    An adjoint method is applied to a three-dimensional global ocean biogeochemical cycle model to optimize the ecosystem parameters on the basis of SeaWiFS surface chlorophyll observation. We showed with identical twin experiments that the model simulated chlorophyll concentration is sensitive to perturbation of phytoplankton and zooplankton exudation, herbivore egestion as fecal pellets, zooplankton grazing, and the assimilation efficiency parameters. The assimilation of SeaWiFS chlorophyll data significantly improved the prediction of chlorophyll concentration, especially in the high-latitude regions. Experiments that considered regional variations of parameters yielded a high seasonal variance of ecosystem parameters in the high latitudes, but a low variance in the tropical regions. These experiments indicate that the adjoint model is, despite the many uncertainties, generally capable to optimize sensitive parameters and carbon fluxes in the euphotic zone. The best fit regional parameters predict a global net primary production of 36 Pg C yr-1, which lies within the range suggested by Antoine et al. (1996). Additional constraints of nutrient data from the World Ocean Atlas showed further reduction in the model-data misfit and that assimilation with extensive data sets is necessary.

  6. Solvent Reaction Field Potential inside an Uncharged Globular Protein: A Bridge between Implicit and Explicit Solvent Models?

    PubMed Central

    Baker, Nathan A.; McCammon, J. Andrew

    2008-01-01

    The solvent reaction field potential of an uncharged protein immersed in Simple Point Charge/Extended (SPC/E) explicit solvent was computed over a series of molecular dynamics trajectories, intotal 1560 ns of simulation time. A finite, positive potential of 13 to 24 kbTec−1 (where T = 300K), dependent on the geometry of the solvent-accessible surface, was observed inside the biomolecule. The primary contribution to this potential arose from a layer of positive charge density 1.0 Å from the solute surface, on average 0.008 ec/Å3, which we found to be the product of a highly ordered first solvation shell. Significant second solvation shell effects, including additional layers of charge density and a slight decrease in the short-range solvent-solvent interaction strength, were also observed. The impact of these findings on implicit solvent models was assessed by running similar explicit-solvent simulations on the fully charged protein system. When the energy due to the solvent reaction field in the uncharged system is accounted for, correlation between per-atom electrostatic energies for the explicit solvent model and a simple implicit (Poisson) calculation is 0.97, and correlation between per-atom energies for the explicit solvent model and a previously published, optimized Poisson model is 0.99. PMID:17949217

  7. Solvent extraction of phenols from water

    SciTech Connect

    Greminger, D.C.; Burns, G.P.; Lynn, S.; Hanson, D.H.; King, C.J.

    1980-02-01

    Methyl isobutyl ketone (MIBK) and diisopropyl ether (DIPE) have been evaluated as solvents for extraction of phenols, at high dilution, from water. Equilibrium distribution coefficients (K/sub D/) have been measured for phenol, dihydroxybenzenes and trihydroxybenzenes in both solvents as a function of pH. Particularly for the multihydric phenols, MIBK gives substantially higher values of K/sub D/ than does DIPE. The effect of pH can be described quantitatively through a simple ionization model, using published values of dissociation constants for the various phenols. Some method for removal of residual dissolved solvent must ordinarily be included in any extraction process for phenols. Possibilities include atmospheric-steam or inert-gas stripping, vacuum-steam stripping, and extraction with a second solvent. Vacuum-steam stripping is a particularly attractive choice for removal of MIBK; this reinforces the utility of MIBK as a solvent. The optimal temperature for vacuum stripping is generally the temperature of the extraction operation, which in turn is related to the effect of temperature on K/sub D/. Values of K/sub D/ for phenol-water-MIBK were determined at 30, 50, and 75/sup 0/C, and were found to decrease with increasing temperature at all concentrations.

  8. Solvent vapor collector

    DOEpatents

    Ellison, Kenneth; Whike, Alan S.

    1979-01-30

    A solvent vapor collector is mounted on the upstream inlet end of an oven having a gas-circulating means and intended for curing a coating applied to a strip sheet metal at a coating station. The strip sheet metal may be hot and solvent vapors are evaporated at the coating station and from the strip as it passes from the coating station to the oven. Upper and lower plenums within a housing of the collector are supplied with oven gases or air from the gas-circulating means and such gases or air are discharged within the collector obliquely in a downstream direction against the strip passing through that collector to establish downstream gas flows along the top and under surfaces of the strip so as, in turn, to induct solvent vapors into the collector at the coating station. A telescopic multi-piece shroud is usefully provided on the housing for movement between an extended position in which it overlies the coating station to collect solvent vapors released thereat and a retracted position permitting ready cleaning and adjustment of that coating station.

  9. DESIGNING GREENER SOLVENTS

    EPA Science Inventory

    Computer-aided design of chemicals and chemical mixtures provides a powerful tool to help engineers identify cleaner process designs and more-benign alternatives to toxic industrial solvents. Three software programs are discussed: (1) PARIS II (Program for Assisting the Replaceme...

  10. Organic solvent topical report

    SciTech Connect

    COWLEY, W.L.

    1999-05-13

    This report provides the basis for closing the organic solvent safety issue. Sufficient information is presented to conclude that risk posed by an organic solvent fire is within risk evaluation guidelines. This report updates information contained in Analysis of Consequences of Postulated Solvent Fires in Hanford Site Waste Tanks. WHC-SD-WM-CN-032. Rev. 0A (Cowley et al. 1996). However, this document will not replace Cowley et al (1996) as the primary reference for the Basis for Interim Operation (BIO) until the recently submitted BIO amendment (Hanson 1999) is approved by the US Department of Energy. This conclusion depends on the use of controls for preventing vehicle fuel fires and for limiting the use of flame cutting in areas where hot metal can fall on the waste surface.The required controls are given in the Tank Waste Remediation System Technical Safety Requirements (Noorani 1997b). This is a significant change from the conclusions presented in Revision 0 of this report. Revision 0 of this calcnote concluded that some organic solvent fire scenarios exceeded risk evaluation guidelines, even with controls imposed.

  11. Organic solvent topical report

    SciTech Connect

    Cowley, W.L.

    1998-04-30

    This report is the technical basis for the accident and consequence analyses used in the Hanford Tank Farms Basis for Interim Operation. The report also contains the scientific and engineering information and reference material needed to understand the organic solvent safety issue. This report includes comments received from the Chemical Reactions Subcommittee of the Tank Advisory Panel.

  12. ONSITE SOLVENT RECOVERY

    EPA Science Inventory

    This study evaluated the product quality, waste reduction/pollution prevention, and economic aspects of three technologies for onsite solvent recovery. The technologies were (1) atmospheric batch distillation, (2) vacuum heat-pump distillation, and (3) low-emission vapor degreas...

  13. DESIGNING GREENER SOLVENTS

    EPA Science Inventory

    Computer-aided design of chemicals and chemical mixtures provides a powerful tool to help engineers identify cleaner process designs and more-benign alternatives to toxic industrial solvents. Three software programs are discussed: (1) PARIS II (Program for Assisting the Replaceme...

  14. ONSITE SOLVENT RECOVERY

    EPA Science Inventory

    This study evaluated the product quality, waste reduction/pollution prevention, and economic aspects of three technologies for onsite solvent recovery. The technologies were (1) atmospheric batch distillation, (2) vacuum heat-pump distillation, and (3) low-emission vapor degreas...

  15. Solvent-Ion Interactions in Salt Water: A Simple Experiment.

    ERIC Educational Resources Information Center

    Willey, Joan D.

    1984-01-01

    Describes a procedurally quick, simple, and inexpensive experiment which illustrates the magnitude and some effects of solvent-ion interactions in aqueous solutions. Theoretical information, procedures, and examples of temperature, volume and hydration number calculations are provided. (JN)

  16. Correlation of radioactive-waste-treatment costs and the environmental impact of waste effluents in the nuclear fuel cycle: conversion of yellow cake to uranium hexafluoride. Part II. The solvent extraction-fluorination process

    SciTech Connect

    Sears, M.B.; Etnier, E.L.; Hill, G.S.; Patton, B.D.; Witherspoon, J.P.; Yen, S.N.

    1983-03-01

    A cost/benefit study was made to determine the cost and effectiveness of radioactive waste (radwaste) treatment systems for decreasing the release of radioactive materials and chemicals from a model uranium hexafluoride (UF/sub 6/) production plant using the solvent extraction-fluorination process, and to evaluate the radiological impact (dose commitment) of the release materials on the environment. The model plant processes 10,000 metric tons of uranium per year. Base-case waste treatment is the minimum necessary to operate the process. Effluents meet the radiological requirements listed in the Code of Federal Regulations, Title 10, Part 20 (10 CFR 20), Appendix B, Table II, but may not be acceptable chemically at all sites. Additional radwaste treatment techniques are applied to the base-case plant in a series of case studies to decrease the amounts of radioactive materials released and to reduce the amounts of radioactive materials released and to reduce the radiological dose commitment to the population in the surrounding area. The costs for the added waste treatment operations and the corresponding dose committment are correlated with the annual cost for treatment of the radwastes. The status of the radwaste treatment methods used in the case studies is discussed. Much of the technology used in the advanced cases will require development and demonstration, or else is proprietary and unavailable for immediate use. The methodology and assumptions for the radiological doses are found in ORNL-4992.

  17. DESIGNING ENVIRONMENTALLY BENIGN SOLVENT SUBSTITUTES

    EPA Science Inventory

    Since the signing of 1987 Montreal Protocol, reducing and eliminating the use of harmful solvents has become an internationally imminent environmental protection mission. Solvent substitution is an effective way to achieve this goal. The Program for Assisting the Replacement of...

  18. DESIGNING ENVIRONMENTALLY BENIGN SOLVENT SUBSTITUTES

    EPA Science Inventory

    Since the signing of 1987 Montreal Protocol, reducing and eliminating the use of harmful solvents has become an internationally imminent environmental protection mission. Solvent substitution is an effective way to achieve this goal. The Program for Assisting the Replacement of...

  19. Retailer's optimal credit period and cycle time in a supply chain for deteriorating items with up-stream and down-stream trade credits

    NASA Astrophysics Data System (ADS)

    Mahata, Gour Chandra

    2015-03-01

    In practice, the supplier often offers the retailers a trade credit period and the retailer in turn provides a trade credit period to her/his customer to stimulate sales and reduce inventory. From the retailer's perspective, granting trade credit not only increases sales and revenue but also increases opportunity cost (i.e., the capital opportunity loss during credit period) and default risk (i.e., the percentage that the customer will not be able to pay off his/her debt obligations). Hence, how to determine credit period is increasingly recognized as an important strategy to increase retailer's profitability. Also, the selling items such as fruits, fresh fishes, gasoline, photographic films, pharmaceuticals and volatile liquids deteriorate continuously due to evaporation, obsolescence and spoilage. In this paper, we propose an economic order quantity model for the retailer where (1) the supplier provides an up-stream trade credit and the retailer also offers a down-stream trade credit, (2) the retailer's down-stream trade credit to the buyer not only increases sales and revenue but also opportunity cost and default risk, and (3) the selling items are perishable. Under these conditions, we model the retailer's inventory system as a profit maximization problem to determine the retailer's optimal replenishment decisions under the supply chain management. We then show that the retailer's optimal credit period and cycle time not only exist but also are unique. We deduce some previously published results of other researchers as special cases. Finally, we use some numerical examples to illustrate the theoretical results.

  20. Towards commercial scale postcombustion capture of CO2 with monoethanolamine solvent: key considerations for solvent management and environmental impacts.

    PubMed

    Reynolds, Alicia J; Verheyen, T Vincent; Adeloju, Samuel B; Meuleman, Erik; Feron, Paul

    2012-04-03

    Chemical absorption with aqueous amine solvents is the most advanced technology for postcombustion capture (PCC) of CO(2) from coal-fired power stations and a number of pilot scale programs are evaluating novel solvents, optimizing energy efficiency, and validating engineering models. This review demonstrates that the development of commercial scale PCC also requires effective solvent management guidelines to ensure minimization of potential technical and environmental risks. Furthermore, the review reveals that while solvent degradation has been identified as a key source of solvent consumption in laboratory scale studies, it has not been validated at pilot scale. Yet this is crucial as solvent degradation products, such as organic acids, can increase corrosivity and reduce the CO(2) absorption capacity of the solvent. It also highlights the need for the development of corrosion and solvent reclamation technologies, as well as strategies to minimize emissions of solvent and degradation products, such as ammonia, aldehydes, nitrosamines and nitramines, to the atmosphere from commercial scale PCC. Inevitably, responsible management of aqueous and solid waste will require more serious consideration. This will ultimately require effective waste management practices validated at pilot scale to minimize the likelihood of adverse human and environmental impacts from commercial scale PCC.

  1. Ultrasonic-assisted continuous methanolysis of Jatropha curcas oil in the appearance of biodiesel used as an intermediate solvent.

    PubMed

    Kumar, Gajendra; Singh, Vidhi; Kumar, Dharmendra

    2017-11-01

    A environmental friendly system for fast transesterification of Jatropha curcas oil was developed for the production of biodiesel using an ultrasonic-assisted continuous tank reactor in the presence of fatty acid methyl ester (FAMEs) used as a green (intermediate) solvent with potassium hydroxide used as a catalyst. This research provide a new biodiesel production process, the optimal condition for the reaction were established: reaction temperature 25°C oil to methanol molar ratio was 1:5, catalyst concentration 0.75wt% of oil, solvent concentration 7.5%, flow rate 241.68±0.80ml/min, ultrasonic amplitude 60% and ultrasonic cycles 0.7s, transesterification was completed within 1.09min (residence time). The purity and conversion of biodiesel was 98.75±0.50% analyzed by the reverse phase HPLC method. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Solvent Immersion Imprint Lithography

    SciTech Connect

    Vasdekis, Andreas E.; Wilkins, Michael J.; Grate, Jay W.; Kelly, Ryan T.; Konopka, Allan; Xantheas, Sotiris S.; Chang, M. T.

    2014-06-21

    The mechanism of polymer disolution was explored for polymer microsystem prototyping, including microfluidics and optofluidics. Polymer films are immersed in a solvent, imprinted and finally brought into contact with a non-modified surface to permanently bond. The underlying polymer-solvent interactions were experimentally and theoretically investigated, and enabled rapid polymer microsystem prototyping. During imprinting, small molecule integration in the molded surfaces was feasible, a principle applied to oxygen sensing. Polystyrene (PS) was employed for microbiological studies at extreme environmental conditions. The thermophile anaerobe Clostridium Thermocellum was grown in PS pore-scale micromodels, revealing a double mean generation lifetime than under ideal culture conditions. Microsystem prototyping through directed polymer dissolution is simple and accessible, while simultaneous patterning, bonding, and surface/volume functionalization are possible in less than one minute.

  3. PARIS II: DESIGNING GREENER SOLVENTS

    EPA Science Inventory

    PARIS II (the program for assisting the replacement of industrial solvents, version II), developed at the USEPA, is a unique software tool that can be used for customizing the design of replacement solvents and for the formulation of new solvents. This program helps users avoid ...

  4. PARIS II: DESIGNING GREENER SOLVENTS

    EPA Science Inventory

    PARIS II (the program for assisting the replacement of industrial solvents, version II), developed at the USEPA, is a unique software tool that can be used for customizing the design of replacement solvents and for the formulation of new solvents. This program helps users avoid ...

  5. Hazardous solvent substitution

    SciTech Connect

    Twitchell, K.E.

    1995-11-01

    Eliminating hazardous solvents is good for the environment, worker safety, and the bottom line. However, even though we are motivated to find replacements, the big question is `What can we use as replacements for hazardous solvents?`You, too, can find replacements for your hazardous solvents. All you have to do is search for them. Search through the vendor literature of hundreds of companies with thousands of products. Ponder the associated material safety data sheets, assuming of course that you can obtain them and, having obtained them, that you can read them. You will want to search the trade magazines and other sources for product reviews. You will want to talk to users about how well the product actually works. You may also want to check US Environmental Protection Agency (EPA) and other government reports for toxicity and other safety information. And, of course, you will want to compare the product`s constituent chemicals with the many hazardous constituency lists to ensure the safe and legal use of the product in your workplace.

  6. Systematic exploration of efficient strategies to manage solid waste in U.S. municipalities: perspectives from the solid waste optimization life-cycle framework (SWOLF).

    PubMed

    Levis, James W; Barlaz, Morton A; Decarolis, Joseph F; Ranjithan, S Ranji

    2014-04-01

    Solid waste management (SWM) systems must proactively adapt to changing policy requirements, waste composition, and an evolving energy system to sustainably manage future solid waste. This study represents the first application of an optimizable dynamic life-cycle assessment framework capable of considering these future changes. The framework was used to draw insights by analyzing the SWM system of a hypothetical suburban U.S. city of 100 000 people over 30 years while considering changes to population, waste generation, and energy mix and costs. The SWM system included 3 waste generation sectors, 30 types of waste materials, and 9 processes for waste separation, treatment, and disposal. A business-as-usual scenario (BAU) was compared to three optimization scenarios that (1) minimized cost (Min Cost), (2) maximized diversion (Max Diversion), and (3) minimized greenhouse gas (GHG) emissions (Min GHG) from the system. The Min Cost scenario saved $7.2 million (12%) and reduced GHG emissions (3%) relative to the BAU scenario. Compared to the Max Diversion scenario, the Min GHG scenario cost approximately 27% less and more than doubled the net reduction in GHG emissions. The results illustrate how the timed-deployment of technologies in response to changes in waste composition and the energy system results in more efficient SWM system performance compared to what is possible from static analyses.

  7. Green Solvents for Precision Cleaning

    NASA Technical Reports Server (NTRS)

    Grandelli, Heather; Maloney, Phillip; DeVor, Robert; Surma, Jan; Hintze, Paul

    2013-01-01

    Aerospace machinery used in liquid oxygen (LOX) fuel systems must be precision cleaned to achieve a very low level of non-volatile residue (< 1 mg0.1 m2), especially flammable residue. Traditionally chlorofluorocarbons (CFCs) have been used in the precision cleaning of LOX systems, specifically CFC 113 (C2Cl3F3). CFCs have been known to cause the depletion of ozone and in 1987, were banned by the Montreal Protocol due to health, safety and environmental concerns. This has now led to the development of new processes in the precision cleaning of aerospace components. An ideal solvent-replacement is non-flammable, environmentally benign, non-corrosive, inexpensive, effective and evaporates completely, leaving no residue. Highlighted is a green precision cleaning process, which is contaminant removal using supercritical carbon dioxide as the environmentally benign solvent. In this process, the contaminant is dissolved in carbon dioxide, and the parts are recovered at the end of the cleaning process completely dry and ready for use. Typical contaminants of aerospace components include hydrocarbon greases, hydraulic fluids, silicone fluids and greases, fluorocarbon fluids and greases and fingerprint oil. Metallic aerospace components range from small nuts and bolts to much larger parts, such as butterfly valves 18 in diameter. A fluorinated grease, Krytox, is investigated as a model contaminant in these preliminary studies, and aluminum coupons are employed as a model aerospace component. Preliminary studies are presented in which the experimental parameters are optimized for removal of Krytox from aluminum coupons in a stirred-batch process. The experimental conditions investigated are temperature, pressure, exposure time and impeller speed. Temperatures of 308 - 423 K, pressures in the range of 8.3 - 41.4 MPa, exposure times between 5 - 60 min and impeller speeds of 0 - 1000 rpm were investigated. Preliminary results showed up to 86 cleaning efficiency with the

  8. Regenerative Heater Optimization for Steam Turbo-Generation Cycles of Generation IV Nuclear Power Plants with a Comparison of Two Concepts for the Westinghouse International Reactor Innovative and Secure (IRIS)

    SciTech Connect

    Williams, W.C.

    2002-08-01

    The intent of this study is to discuss some of the many factors involved in the development of the design and layout of a steam turbo-generation unit as part of a modular Generation IV nuclear power plant. Of the many factors involved in the design and layout, this research will cover feed water system layout and optimization issues. The research is arranged in hopes that it can be generalized to any Generation IV system which uses a steam powered turbo-generation unit. The research is done using the ORCENT-II heat balance codes and the Salisbury methodology to be reviewed herein. The Salisbury methodology is used on an original cycle design by Famiani for the Westinghouse IRIS and the effects due to parameter variation are studied. The vital parameters of the Salisbury methodology are the incremental heater surface capital cost (S) in $/ft{sup 2}, the value of incremental power (I) in $/kW, and the overall heat transfer coefficient (U) in Btu/ft{sup 2}-degrees Fahrenheit-hr. Each is varied in order to determine the effects on the cycles overall heat rate, output, as well as, the heater surface areas. The effects of each are shown. Then the methodology is then used to compare the optimized original Famiani design consisting of seven regenerative feedwater heaters with an optimized new cycle concept, INRC8, containing four regenerative heaters. The results are shown. It can be seen that a trade between the complexity of the seven stage regenerative Famiani cycle and the simplicity of the INRC8 cycle can be made. It is desired that this methodology can be used to show the ability to evaluate modularity through the value of size a complexity of the system as well as the performance. It also shows the effectiveness of the Salisbury methodology in the optimization of regenerative cycles for such an evaluation.

  9. Hybrid Helmet Cure Cycle Optimization

    DTIC Science & Technology

    2008-02-01

    Distribution List 11 iv List of Figures Figure 1. DSC scans of cured and uncured carbon fiber-epoxy prepreg ...thermoplastic fabrics, molded with thermoset prepregs was designed at ARL. Proposed manufacturing of the helmet involved pressure molding a number...of plies of aramid fabric with a thermoplastic film, and two plies of carbon fiber-epoxy prepreg , BT250-E (Bryte Technologies, Inc.) that would add

  10. SOLVENT FIRE BY-PRODUCTS

    SciTech Connect

    Walker, D; Samuel Fink, S

    2006-05-22

    Southwest Research Institute (SwRI) conducted a burn test of the Caustic-Side Solvent Extraction (CSSX) solvent to determine the combustion products. The testing showed hydrogen fluoride gas is not a combustion product from a solvent fire when up to 70% of the solvent is consumed. The absence of HF in the combustion gases may reflect concentration of the modifier containing the fluoride groups in the unburned portion. SwRI reported results for other gases (CO, HCN, NOx, formaldehyde, and hydrocarbons). The results, with other supporting information, can be used for evaluating the consequences of a facility fire involving the CSSX solvent inventory.

  11. Thermochemical cycles

    NASA Technical Reports Server (NTRS)

    Funk, J. E.; Soliman, M. A.; Carty, R. H.; Conger, W. L.; Cox, K. E.; Lawson, D.

    1975-01-01

    The thermochemical production of hydrogen is described along with the HYDRGN computer program which attempts to rate the various thermochemical cycles. Specific thermochemical cycles discussed include: iron sulfur cycle; iron chloride cycle; and hybrid sulfuric acid cycle.

  12. Selecting water-alcohol mixed solvent for synthesis of polydopamine nano-spheres using solubility parameter

    NASA Astrophysics Data System (ADS)

    Jiang, Xiaoli; Wang, Yinling; Li, Maoguo

    2014-08-01

    The solvent plays an important role in a given chemical reaction. Since most reaction in nature occur in the mixed-solvent systems, a comprehensive principle for solvent optimization was required. By calculating the Hansen solubility parameters (HSP) distance Ra, we designed a model experiment to explore the influence of mixed solvents on the chemical synthesis. The synthesis of polydopamine (PDA) in the water-alcohol system was chosen as model. As predicted, the well-dispersed PDA spheres were obtained in selected solvents with smaller Ra values: methanol/water, ethanol/water and 2-propanol/water. In addition, the mixed solvent with smaller Ra values gave a higher conversion of dopamine. The strategy for mixed solvent selection is might be useful to choose optimal reaction media for efficient chemical synthesis.

  13. Selecting water-alcohol mixed solvent for synthesis of polydopamine nano-spheres using solubility parameter.

    PubMed

    Jiang, Xiaoli; Wang, Yinling; Li, Maoguo

    2014-08-14

    The solvent plays an important role in a given chemical reaction. Since most reaction in nature occur in the mixed-solvent systems, a comprehensive principle for solvent optimization was required. By calculating the Hansen solubility parameters (HSP) distance Ra, we designed a model experiment to explore the influence of mixed solvents on the chemical synthesis. The synthesis of polydopamine (PDA) in the water-alcohol system was chosen as model. As predicted, the well-dispersed PDA spheres were obtained in selected solvents with smaller Ra values: methanol/water, ethanol/water and 2-propanol/water. In addition, the mixed solvent with smaller Ra values gave a higher conversion of dopamine. The strategy for mixed solvent selection is might be useful to choose optimal reaction media for efficient chemical synthesis.

  14. Selecting water-alcohol mixed solvent for synthesis of polydopamine nano-spheres using solubility parameter

    PubMed Central

    Jiang, Xiaoli; Wang, Yinling; Li, Maoguo

    2014-01-01

    The solvent plays an important role in a given chemical reaction. Since most reaction in nature occur in the mixed-solvent systems, a comprehensive principle for solvent optimization was required. By calculating the Hansen solubility parameters (HSP) distance Ra, we designed a model experiment to explore the influence of mixed solvents on the chemical synthesis. The synthesis of polydopamine (PDA) in the water-alcohol system was chosen as model. As predicted, the well-dispersed PDA spheres were obtained in selected solvents with smaller Ra values: methanol/water, ethanol/water and 2-propanol/water. In addition, the mixed solvent with smaller Ravalues gave a higher conversion of dopamine. The strategy for mixed solvent selection is might be useful to choose optimal reaction media for efficient chemical synthesis. PMID:25317902

  15. Rigorous Kinetic Modeling and Optimization Study of a Modified Claus Unit for an Integrated Gasification Combined Cycle (IGCC) Power Plant with CO{sub 2} Capture

    SciTech Connect

    Jones, Dustin; Bhattacharyya, Debangsu; Turton, Richard; Zitney, Stephen E.

    2012-02-08

    The modified Claus process is one of the most common technologies for sulfur recovery from acid gas streams. Important design criteria for the Claus unit, when part of an Integrated Gasification Combined Cycle (IGCC) power plant, are the ability to destroy ammonia completely and the ability to recover sulfur thoroughly from a relatively low purity acid gas stream without sacrificing flame stability. Because of these criteria, modifications to the conventional process are often required, resulting in a modified Claus process. For the studies discussed here, these modifications include the use of a 95% pure oxygen stream as the oxidant, a split flow configuration, and the preheating of the feeds with the intermediate pressure steam generated in the waste heat boiler (WHB). In the future, for IGCC plants with CO{sub 2} capture, the Claus unit must satisfy emission standards without sacrificing the plant efficiency in the face of typical disturbances of an IGCC plant, such as rapid change in the feed flow rates due to load-following and wide changes in the feed composition because of changes in the coal feed to the gasifier. The Claus unit should be adequately designed and efficiently operated to satisfy these objectives. Even though the Claus process has been commercialized for decades, most papers concerned with the modeling of the Claus process treat the key reactions as equilibrium reactions. Such models are validated by manipulating the temperature approach to equilibrium for a set of steady-state operating data, but they are of limited use for dynamic studies. One of the objectives of this study is to develop a model that can be used for dynamic studies. In a Claus process, especially in the furnace and the WHB, many reactions may take place. In this work, a set of linearly independent reactions has been identified, and kinetic models of the furnace flame and anoxic zones, WHB, and catalytic reactors have been developed. To facilitate the modeling of the Claus

  16. Rigorous Kinetic Modeling, Optimization, and Operability Studies of a Modified Claus Unit for an Integrated Gasification Combined Cycle (IGCC) Power Plant with CO{sub 2} Capture

    SciTech Connect

    Jones, Dustin; Bhattacharyya, Debangsu; Turton, Richard; Zitney, Stephen E

    2011-12-15

    The modified Claus process is one of the most common technologies for sulfur recovery from acid gas streams. Important design criteria for the Claus unit, when part of an Integrated Gasification Combined Cycle (IGCC) power plant, are the ability to destroy ammonia completely and the ability to recover sulfur thoroughly from a relatively low purity acid gas stream without sacrificing flame stability. Because of these criteria, modifications to the conventional process are often required, resulting in a modified Claus process. For the studies discussed here, these modifications include the use of a 95% pure oxygen stream as the oxidant, a split flow configuration, and the preheating of the feeds with the intermediate pressure steam generated in the waste heat boiler (WHB). In the future, for IGCC plants with CO{sub 2} capture, the Claus unit must satisfy emission standards without sacrificing the plant efficiency in the face of typical disturbances of an IGCC plant, such as rapid change in the feed flow rates due to load-following and wide changes in the feed composition because of changes in the coal feed to the gasifier. The Claus unit should be adequately designed and efficiently operated to satisfy these objectives. Even though the Claus process has been commercialized for decades, most papers concerned with the modeling of the Claus process treat the key reactions as equilibrium reactions. Such models are validated by manipulating the temperature approach to equilibrium for a set of steady-state operating data, but they are of limited use for dynamic studies. One of the objectives of this study is to develop a model that can be used for dynamic studies. In a Claus process, especially in the furnace and the WHB, many reactions may take place. In this work, a set of linearly independent reactions has been identified, and kinetic models of the furnace flame and anoxic zones, WHB, and catalytic reactors have been developed. To facilitate the modeling of the Claus

  17. Solvent Fractionation of Lignin

    SciTech Connect

    Chatterjee, Sabornie; Saito, Tomonori

    2014-01-01

    Lignin is a highly abundant source of renewable carbon that can be considered as a valuable sustainable source of biobased materials. The major issues for the commercial production of value added high performance lignin products are lignin s physical and chemical heterogenities. To overcome these problems, a variety of procedures have been developed to produce pure lignin suitable for high performace applications such as lignin-derived carbon materials. However, most of the isolation procedures affect lignin s properties and structure. In this chapter, a short review of the effect of solvent fractionation on lignin s properties and structure is presented.

  18. Dynamic Optimization

    NASA Technical Reports Server (NTRS)

    Laird, Philip

    1992-01-01

    We distinguish static and dynamic optimization of programs: whereas static optimization modifies a program before runtime and is based only on its syntactical structure, dynamic optimization is based on the statistical properties of the input source and examples of program execution. Explanation-based generalization is a commonly used dynamic optimization method, but its effectiveness as a speedup-learning method is limited, in part because it fails to separate the learning process from the program transformation process. This paper describes a dynamic optimization technique called a learn-optimize cycle that first uses a learning element to uncover predictable patterns in the program execution and then uses an optimization algorithm to map these patterns into beneficial transformations. The technique has been used successfully for dynamic optimization of pure Prolog.

  19. Predicting Abraham model solvent coefficients.

    PubMed

    Bradley, Jean-Claude; Abraham, Michael H; Acree, William E; Lang, Andrew Sid

    2015-01-01

    The Abraham general solvation model can be used in a broad set of scenarios involving partitioning and solubility, yet is limited to a set of solvents with measured Abraham coefficients. Here we extend the range of applicability of Abraham's model by creating open models that can be used to predict the solvent coefficients for all organic solvents. We created open random forest models for the solvent coefficients e, s, a, b, and v that had out-of-bag R(2) values of 0.31, 0.77, 0.92, 0.47, and 0.63 respectively. The models were used to suggest sustainable solvent replacements for commonly used solvents. For example, our models predict that propylene glycol may be used as a general sustainable solvent replacement for methanol. The solvent coefficient models extend the range of applicability of the Abraham general solvation equations to all organic solvents. The models were developed under Open Notebook Science conditions which makes them open, reproducible, and as useful as possible. Graphical AbstractChemical space for solvents with known Abraham coefficients.

  20. A Study on the Optimization for Metal Injection Molding Process

    NASA Astrophysics Data System (ADS)

    Jung, M. K.; Jang, K. C.; Lee, D. G.; Kim, M. H.

    2011-01-01

    The objective of this paper is study the optimization for metal injection molding process by using the design of experiments (DOE) and numerical analysis. In order to determine optimal process parameters, experiment and computerized analysis have been performed for various process conditions. Proper coded and uncoded regression equations and optimization for responses (flow front temperature, part weight, filling time, cycle time, and volumetric shrinkage) achieved from studying and verifying interrelation of the factors. About 70% of whole binder extracted within about 10 minutes and temperature of solvent is higher, the debinding rate is fast. 50° C was the most suitable condition for solvent extraction because of crack occurrence on green body at 55° C. It took about 14.5 hours to perform secondary thermal debinding, which was only about 35% of the entire time taken compared with single thermal debinding process, even if it considers solvent extraction time required. Therefore, the applied method greatly reduces the debinding time. The excellent process capability showed that the PPM total and Z.Bench were 9,946.8 and 2.33 showing good quality rate of around 99.01% and sigma level of 3.83. As a result, the process and optimization have been improved, and the proposed approach could be successfully reflected on the metal injection molding.

  1. Fluoro-Carbonate Solvents for Li-Ion Cells

    SciTech Connect

    NAGASUBRAMANIAN,GANESAN

    1999-09-17

    A number of fluoro-carbonate solvents were evaluated as electrolytes for Li-ion cells. These solvents are fluorine analogs of the conventional electrolyte solvents such as dimethyl carbonate, ethylene carbonate, diethyl carbonate in Li-ion cells. Conductivity of single and mixed fluoro carbonate electrolytes containing 1 M LiPF{sub 6} was measured at different temperatures. These electrolytes did not freeze at -40 C. We are evaluating currently, the irreversible 1st cycle capacity loss in carbon anode in these electrolytes and the capacity loss will be compared to that in the conventional electrolytes. Voltage stability windows of the electrolytes were measured at room temperature and compared with that of the conventional electrolytes. The fluoro-carbon electrolytes appear to be more stable than the conventional electrolytes near Li voltage. Few preliminary electrochemical data of the fluoro-carbonate solvents in full cells are reported in the literature. For example, some of the fluorocarbonate solvents appear to have a wider voltage window than the conventional electrolyte solvents. For example, methyl 2,2,2 trifluoro ethyl carbonate containing 1 M LiPF{sub 6} electrolyte has a decomposition voltage exceeding 6 V vs. Li compared to <5 V for conventional electrolytes. The solvent also appears to be stable in contact with lithium at room temperature.

  2. Solvent Blending Strategy to Upgrade MCU CSSX Solvent to Equivalent Next-Generation CSSX Solvent

    SciTech Connect

    Delmau, Laetitia Helene; Moyer, Bruce A

    2012-12-01

    The results of the present study have validated an equal-volume blending strategy for upgrading freshly prepared CSSX solvent to a blended solvent functionally equivalent to NG-CSSX solvent. It is shown that blending fresh CSSX solvent as currently used in MCU with an equal volume of an NG-CSSX solvent concentrate of appropriate composition yields a blended solvent composition (46.5 mM of MaxCalix, 3.5 mM of BOBCalixC6, 0.5 M of Cs-7SB, 3 mM of guanidine suppressor, and 1.5 mM of TOA in Isopar L) that exhibits equivalent batch ESS performance to that of the NG-CSSX solvent containing 50 mM of MaxCalix, 0.5 M of Cs-7SB, and 3 mM of guanidine suppressor in Isopar L. The solvent blend composition is robust to third-phase formation. Results also show that a blend containing up to 60% v/v of CSSX solvent could be accommodated with minimal risk. Extraction and density data for the effect of solvent concentration mimicking diluent evaporation or over-dilution of the equal-volume blended solvent are also given, providing input for setting operational limits. Given that the experiments employed all pristine chemicals, the results do not qualify a blended solvent starting with actual used MCU solvent, which can be expected to have undergone some degree of degradation. Consequently, further work should be considered to evaluate this risk and implement appropriate remediation if needed.

  3. EVALUATING THE GREENNESS OF IONIC LIQUIDS VIA LIFE CYCLE ASSESSMENT

    EPA Science Inventory

    Ionic Liquids have been suggested as "greener" replacements to traditional solvents. However, the environmental impacts of the life cycle phases have not been studied. Such a "cradle to gate" Life Cycle Assessment (LCA) for comparing the environmental impact of various solvents...

  4. EVALUATING THE GREENNESS OF IONIC LIQUIDS VIA LIFE CYCLE ASSESSMENT

    EPA Science Inventory

    Ionic Liquids have been suggested as "greener" replacements to traditional solvents. However, the environmental impacts of the life cycle phases have not been studied. Such a "cradle to gate" Life Cycle Assessment (LCA) for comparing the environmental impact of various solvents...

  5. Intelligent Space Tube Optimization for speeding ground water remedial design.

    PubMed

    Kalwij, Ineke M; Peralta, Richard C

    2008-01-01

    An innovative Intelligent Space Tube Optimization (ISTO) two-stage approach facilitates solving complex nonlinear flow and contaminant transport management problems. It reduces computational effort of designing optimal ground water remediation systems and strategies for an assumed set of wells. ISTO's stage 1 defines an adaptive mobile space tube that lengthens toward the optimal solution. The space tube has overlapping multidimensional subspaces. Stage 1 generates several strategies within the space tube, trains neural surrogate simulators (NSS) using the limited space tube data, and optimizes using an advanced genetic algorithm (AGA) with NSS. Stage 1 speeds evaluating assumed well locations and combinations. For a large complex plume of solvents and explosives, ISTO stage 1 reaches within 10% of the optimal solution 25% faster than an efficient AGA coupled with comprehensive tabu search (AGCT) does by itself. ISTO input parameters include space tube radius and number of strategies used to train NSS per cycle. Larger radii can speed convergence to optimality for optimizations that achieve it but might increase the number of optimizations reaching it. ISTO stage 2 automatically refines the NSS-AGA stage 1 optimal strategy using heuristic optimization (we used AGCT), without using NSS surrogates. Stage 2 explores the entire solution space. ISTO is applicable for many heuristic optimization settings in which the numerical simulator is computationally intensive, and one would like to reduce that burden.

  6. Co-solvents with high coulombic efficiency in propylene carbonate based electrolytes

    DOEpatents

    Liu, Gao; Zhao, Hui; Park, Sang-Jae

    2017-06-27

    A homologous series of cyclic carbonate or propylene carbonate (PC) analogue solvents with increasing length of linear alkyl substitutes were synthesized and used as co-solvents with PC for graphite based lithium ion half cells. A graphite anode reaches a capacity around 310 mAh/g in PC and its analogue co-solvents with 99.95% Coulombic efficiency. Cyclic carbonate co-solvents with longer alkyl chains are able to prevent exfoliation of graphite when used as co-solvents with PC. The cyclic carbonate co-solvents of PC compete for solvation of Li ion with PC solvent, delaying PC co-intercalation. Reduction products of PC on graphite surfaces via single-electron path form a stable Solid Electrolyte Interphase (SEI), which allows the reversible cycling of graphite.

  7. Solvents and supporting electrolytes for vanadium acetylacetonate flow batteries

    NASA Astrophysics Data System (ADS)

    Shinkle, Aaron A.; Pomaville, Timothy J.; Sleightholme, Alice E. S.; Thompson, Levi T.; Monroe, Charles W.

    2014-02-01

    Properties of supporting electrolytes and solvents were examined for use with vanadium acetylacetonate - a member of the class of metal(β-diketonate) active species - in non-aqueous redox flow batteries. Twenty supporting-electrolyte/solvent combinations were screened for ionic conductivity and supporting-electrolyte solubility. Hexane, tetrahydrofuran, and dimethylcarbonate solvents did not meet minimal conductivity and solubility criteria for any of the electrolytes used, which included tetraethylammonium tetrafluoroborate, tetrabutylammonium tetrafluoroborate, tetrabutylammonium hexafluorophosphate, and (1-butyl, 3-methyl)imidazolium bis(trifluoromethanesulfonyl)imide. Ionic conductivities and solubilities for solutions of these electrolytes passed screening criteria in acetonitrile and dimethylformamide solvents, in which maximum supporting-electrolyte and active-species solubilities were determined. Active-species electrochemistry was found to be reversible in several solvent/support systems; for some systems the voltammetric signatures of unwanted side reactions were suppressed. Correlations between supporting-solution properties and performance metrics suggest that an optimal solvent for a vanadium acetylacetonate RFB should have a low solvent molar volume for active-species solubility, and a high Hansen polarity for conductivity.

  8. Femtosecond transient dichroism/birefringence studies of solute- solvent friction and solvent dynamics

    SciTech Connect

    Chang, Y.J.; Castner, E.W. Jr.; Konitsky, W.; Waldeck, D.H.

    1994-02-01

    Ultrafast, heterodyne, polarization spectroscopies are used to measure solute-solvent frictional coupling and characterize the neat solvent`s relaxation dynamics on femtosecond and picosecond timescales.

  9. ANALYSIS OF SOLVENT RECOVERED FROM WRIGHT INDUSTRIES, INCORPORATED TESTING

    SciTech Connect

    Poirier, M; Thomas Peters, T; Fernando Fondeur, F; Samuel Fink, S

    2007-01-11

    dispersion benefit. (3) WII Solvent that underwent a cleaning cycle provides an acceptable set of cesium distribution (i.e., D) values when used in a standard Extraction, Scrub, and Strip (ESS) test.

  10. SOLVENT EXTRACTION OF URANIUM VALUES

    DOEpatents

    Feder, H.M.; Ader, M.; Ross, L.E.

    1959-02-01

    A process is presented for extracting uranium salt from aqueous acidic solutions by organic solvent extraction. It consists in contacting the uranium bearing solution with a water immiscible dialkylacetamide having at least 8 carbon atoms in the molecule. Mentioned as a preferred extractant is dibutylacetamide. The organic solvent is usually used with a diluent such as kerosene or CCl/sub 4/.

  11. Supercritical multicomponent solvent coal extraction

    NASA Technical Reports Server (NTRS)

    Corcoran, W. H.; Fong, W. S.; Pichaichanarong, P.; Chan, P. C. F.; Lawson, D. D. (Inventor)

    1983-01-01

    The yield of organic extract from the supercritical extraction of coal with larger diameter organic solvents such as toluene is increased by use of a minor amount of from 0.1 to 10% by weight of a second solvent such as methanol having a molecular diameter significantly smaller than the average pore diameter of the coal.

  12. Tuning the Morphology and Performance of Low Bandgap Polymer: Fullerene Heterojunctions via Solvent Annealing in Selective Solvents

    SciTech Connect

    Chen, Huipeng; Hsiao, Yu-Che; Hu, Bin; Dadmun, Mark D

    2014-01-01

    Low bandgap polymer (LBG):fullerene mixtures are some of the most promising organic photovoltaic active layers. Unfortunately, there are no post-deposition treatments available to rationally improve the morphology and performance of as-cast LBG:fullerene OPV active layers, where thermal annealing usually fails. Therefore, there is a glaring need to develop postdeposition methods to guide the morphology of LBG:fullerene bulk heterojunctions towards targeted structures and performance. In this paper, the structural evolution of PCPDTBT:PCBM mixtures with solvent annealing (SA) is examined, focusing on the effect of solvent quality of the fullerene and polymer in the annealing vapor on morphological evolution and device performance. The results indicate that exposure of this active layer to the solvent vapor controls the ordering of PCPDTBT and PCBM phase separation very effectively, presumably by inducing component mobility as the solvent plasticizes the mixture. These results also unexpectedly indicate that solvent annealing in a selective solvent provides a method to invert the morphology of the LBG:fullerene mixture from a polymer aggregate dispersed in a polymer:fullerene matrix to fullerene aggregates dispersed in a polymer:fullerene matrix. The judicious choice of solvent vapor, therefore, provides a unique method to exquisitely control and optimize the morphology of LBG conjugated polymer/fullerene mixtures.

  13. Ionic liquids as novel solvents for the synthesis of sugar fatty acid ester.

    PubMed

    Mai, Ngoc Lan; Ahn, Kihun; Bae, Sang Woo; Shin, Dong Woo; Morya, Vivek Kumar; Koo, Yoon-Mo

    2014-12-01

    Sugar fatty acid esters are bio-surfactants known for their non-toxic, non-ionic, and high biodegradability . With great emulsifying and conditioning effects, sugar fatty acids are widely used in the food, pharmaceutical, and cosmetic industries. Biosynthesis of sugar fatty acid esters has attracted growing attention in recent decades. In this study, the enzymatic synthesis of sugar fatty acid esters in ionic liquids was developed, optimized, and scaled up. Reaction parameters affecting the conversion yield of lipase-catalyzed synthesis of glucose laurate from glucose and vinyl laurate (i.e. temperature, vinyl laurate/glucose molar ratio, and enzyme loads) were optimized by response surface methodology (RSM). In addition, production was scaled up to 2.5 L, and recycling of enzyme and ionic liquids was investigated. The results showed that under optimal reaction conditions (66.86 °C, vinyl laurate/glucose molar ratio of 7.63, enzyme load of 73.33 g/L), an experimental conversion yield of 96.4% was obtained which is close to the optimal value predicted by RSM (97.16%). A similar conversion yield was maintained when the reaction was carried out at 2.5 L. Moreover, the enzymes and ionic liquids could be recycled and reused effectively for up to 10 cycles. The results indicate the feasibility of ionic liquids as novel solvents for the biosynthesis of sugar fatty acid esters. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Determination of lutein from green tea and green tea by-products using accelerated solvent extraction and UPLC.

    PubMed

    Heo, Ji-Young; Kim, Suna; Kang, Jae-Hyun; Moon, Bokyung

    2014-05-01

    We aimed to identify the optimum conditions for the extraction of lutein from green tea using accelerated solvent extraction, and achieve improved analytical resolution and sensitivity between lutein and zeaxanthin using an ultra performance liquid chromatography (UPLC) system. The optimized method employed 80% ethanol as the extraction solvent, 160 °C as the temperature, 2 static cycles, and 5 min of static time. In the validation of the UPLC method, recovery was found to be in the range approximately 93.73 to 108.79%, with a correlation coefficient of 0.9974 and a relative standard deviation of <9.29% in inter- and intraday precision analyses. Finally, the lutein contents of green tea and green tea by-products were measured as 32.67 ± 0.70 and 18.18 ± 0.68 mg/100g dw, respectively. Furthermore, we verified that green tea by-products, which are discarded after producing green tea beverages, might be used as a great resource for massive lutein production. We have demonstrated that the common problem of inadequate resolution between lutein and zeaxanthin during carotenoid analyses can be overcome by optimizing the combined techniques of accelerated solvent extraction and ultra performance liquid chromatography (UPLC). UPLC was highly effective for saving time, solvent, and labor, as well as providing better resolution. The results in this study demonstrated that green tea by-products could be used as new sources for industrial lutein production owing to their massive production during the extraction of green tea beverages. © 2014 Institute of Food Technologists®

  15. Switchable Polarity Solvents: Are They Green?

    NASA Astrophysics Data System (ADS)

    Plaumann, Heinz

    2017-03-01

    Solvents play an incredibly important role in large scale chemical reactions. Switchable polarity solvents may prove to be a class of solvent that offers energy and material efficiencies greater than existing solvents. This paper examines such solvents and their potential in a variety of chemical reactions.

  16. COMPUTER AIDED SOLVENT DESIGN FOR THE ENVIRONMENT

    EPA Science Inventory

    Solvent substitution is an effective and useful means of eliminating the use of harmful solvents, but finding substitute solvents which are less harmful and as effective as currently used solvents presents significant difficulties. Solvent substitution is a form of reverse engin...

  17. COMPUTER AIDED SOLVENT DESIGN FOR THE ENVIRONMENT

    EPA Science Inventory

    Solvent substitution is an effective and useful means of eliminating the use of harmful solvents, but finding substitute solvents which are less harmful and as effective as currently used solvents presents significant difficulties. Solvent substitution is a form of reverse engin...

  18. Optimize acid gas removal

    SciTech Connect

    Nicholas, D.M.; Wilkins, J.T.

    1983-09-01

    Innovative design of physical solvent plants for acid gas removal can materially reduce both installation and operating costs. A review of the design considerations for one physical solvent process (Selexol) points to numerous arrangements for potential improvement. These are evaluated for a specific case in four combinations that identify an optimum for the case in question but, more importantly, illustrate the mechanism for use for such optimization elsewhere.

  19. Optimizing parameters of GTU cycle and design values of air-gas channel in a gas turbine with cooled nozzle and rotor blades

    NASA Astrophysics Data System (ADS)

    Kler, A. M.; Zakharov, Yu. B.

    2012-09-01

    The authors have formulated the problem of joint optimization of pressure and temperature of combustion products before gas turbine, profiles of nozzle and rotor blades of gas turbine, and cooling air flow rates through nozzle and rotor blades. The article offers an original approach to optimization of profiles of gas turbine blades where the optimized profiles are presented as linear combinations of preliminarily formed basic profiles. The given examples relate to optimization of the gas turbine unit on the criterion of power efficiency at preliminary heat removal from air flows supplied for the air-gas channel cooling and without such removal.

  20. Cesium Concentration in MCU Solvent

    SciTech Connect

    Walker, D

    2006-01-18

    During Modular Caustic-Side Solvent Extraction (CSSX) Unit (MCU) operations, Cs-137 concentrations in product streams will vary depending on the location in the process and on the recent process conditions. Calculations of cesium concentrations under a variety of operating conditions reveal the following: (1) Under nominal operations with salt solution feed containing 1.1 Ci Cs-137 per gallon, the maximum Cs-137 concentration in the process will occur in the strip effluent (SE) and equal 15-16.5 Ci/gal. (2) Under these conditions, the majority of the solvent will contain 0.005 to 0.01 Ci/gal, with a limited portion of the solvent in the contactor stages containing {approx}4 Ci/gal. (3) When operating conditions yield product near 0.1 Ci Cs-137/gal in the decontaminated salt solution (DSS), the SE cesium concentration will be the same or lower than in nominal operations, but majority of the stripped solvent will increase to {approx}2-3 Ci/gal. (4) Deviations in strip and waste stream flow rates cause the largest variations in cesium content: (a) If strip flow rates deviate by -30% of nominal, the SE will contain {approx}23 Ci/gal, although the cesium content of the solvent will increase to only 0.03 Ci/gal; (b) If strip flow rate deviates by -77% (i.e., 23% of nominal), the SE will contain 54 Ci/gal and solvent will contain 1.65 Ci/gal. At this point, the product DSS will just reach the limit of 0.1 Ci/gal, causing the DSS gamma monitors to alarm; and (c) Moderate (+10 to +30%) deviations in waste flow rate cause approximately proportional increases in the SE and solvent cesium concentrations. Recovery from a process failure due to poor cesium stripping can achieve any low cesium concentration required. Passing the solvent back through the contactors while recycling DSS product will produce a {approx}70% reduction during one pass through the contactors (assuming the stripping D value is no worse than 0.36). If the solvent is returned to the solvent hold tank

  1. Investigation of solvent annealing time dependence on morphology formation in polystyrene-block-polylactide thin films

    NASA Astrophysics Data System (ADS)

    Gnabasik, Ryan; Nelson, Gunnar; Baruth, Andrew

    2015-03-01

    Solvent vapor annealing exposes a block polymer film to the vapors of one or more solvents, swelling the film. This process increases polymer mobility and can direct a self-assembly process by tuning the surface energy. Despite its efficacy to produce well-ordered, periodic nanostructures, no standardized production scheme exists. This is primarily due to a lack of understanding the intricate role multiple, incommensurate parameters play. By analogy to thermal annealing of elemental solids, the time a thin film spends in an equilibrium solvent concentration is one factor that will dictate the degree of ordering. To elucidate, optimized annealing conditions for perpendicular cylinder forming polystyrene-block-polylactide exist at solvent concentrations just below the order-disorder transition, where the kinetic and thermal processes required for recrystallization and crystal growth are optimally fast (similar to thermal annealing). By use of a purpose-built, climate-controlled solvent annealing chamber, we map out the annealing time dependence for non-optimized solvent concentrations. Namely, at lower solvent concentrations, where mobility is limited, longer times are required for large lateral correlation lengths. In situ spectral reflectance monitors solvent concentration, regulated viaa mass-flow controlled solvent inlet, offering precision control over annealing. Atomic force microscopy, in conjunction with O2 plasma etching, provides 3-dimensional imaging of the nanoscale morphology. This work was funded by NASA Nebraska Space Grant.

  2. Solvent extraction of lubricating oils

    SciTech Connect

    Sequeira, A. Jr.

    1991-08-13

    This patent describes improvement in a process for solvent refining a hydrocarbon based lubricating oil stock containing aromatics and non-aromatics components with an extraction solvent wherein the lubricating oil stock is contacted with the extraction solvent in a first extraction zone at a first extraction temperature in the range of 100{degrees} F to 250{degrees} F and a solvent to oil dosage in the range of 75 to 500 vol % forming an aromatics-rich primary extract and an aromatics-lean primary raffinate of high viscosity index of at least 85. The improvement comprises: withdrawing and cooling the primary extract to a temperature 10{degrees} F to 120{degrees} F below the extraction temperature and admixing with 0.0 vol % to 10 vol % anti-solvent thereby forming a secondary extract and a secondary raffinate, passing the secondary raffinate to a second extraction zone wherein the secondary raffinate is contacted with the extraction solvent at a second extraction temperature in the range of 100{degrees} F to 250{degrees} F and solvent to oil dosage in the range of 75 to 500 vol %, to form an aromatics-lean tertiary raffinate phase of viscosity index 65 or greater.

  3. Occupational neurotoxicology of organic solvents and solvent mixtures

    SciTech Connect

    Triebig, G. )

    1989-11-01

    The results of two field studies in painters and spray painters, the outcomes of examinations of workers with suspected work-related disease due to solvents, as well as data from an evaluation of an epidemiologic study in painters with confirmed occupational disease, are presented and discussed. The results of these studies and the experiences in occupational medicine in the Federal Republic of Germany do not support the assumption of high neurotoxic risks in solvent-exposed workers, which can be postulated from various epidemiologic studies from Scandinavian countries. Several factors may explain the different conclusions: (1) lower solvent exposures of German painters in the past decades; (2) false positive diagnosis of a toxic encephalopathy; (3) aetiological misclassification; (4) differences in legislation relevant for the acknowledgement of occupational diseases. In conclusion, there is a need for further well-designed epidemiologic studies in occupationally solvent-exposed workers. Suggestions regarding assessment of exposure and neurobehavioral tests are given.

  4. Influence of solvents on species crossover and capacity decay in non-aqueous vanadium redox flow batteries: Characterization of acetonitrile and 1, 3 dioxolane solvent mixture

    NASA Astrophysics Data System (ADS)

    Bamgbopa, Musbaudeen O.; Almheiri, Saif

    2017-02-01

    The importance of the choice of solvent in a non-aqueous redox flow battery (NARFB) cannot be overemphasized. Several studies demonstrated the influence of the solvent on electrolyte performance in terms of reaction rates, energy/power densities, and efficiencies. In this work, we investigate capacity decay as a direct consequence of varying reactant crossover rates through membranes in different solvent environments. Specifically, we demonstrate the superiority of an 84/16 vol% acetonitrile/1,3 dioxolane solvent mixture over pure acetonitrile in terms of energy efficiency (up to 89%) and capacity retention for vanadium NARFBs - while incorporating a Nafion 115 membrane. The permeability of Nafion to the vanadium acetylacetonate active species is an order of magnitude lower when pure acetonitrile is replaced by the solvent mixture. A method to estimate relative membrane permeability is formulated from numerical analysis of self-discharge experimental data. Furthermore, tests on a modified Nafion/SiO2 membrane, which generally offered low species permeability, also show that different solvents alter membrane permeability. Elemental and morphological analyses of cycled Nafion and NafionSi membranes in different solvent environments indicate that different crossover rates induced by the choice of solvent during cycling are due to changes in the membrane microstructure, intrinsic permeability, swelling rates, and chemical stability.

  5. Swelling of lignites in organic solvents

    SciTech Connect

    R.G. Makitra; D.V. Bryk

    2008-10-15

    Data on the swelling of Turkish lignites can be summarized using linear multiparameter equations that take into account various properties of solvents. Factors responsible for the amounts of absorbed solvents are the basicity and cohesion energy density of the solvents.

  6. Caustic-Side Solvent Extraction Solvent-Composition Recommendation

    SciTech Connect

    Klatt, L.N.

    2002-05-09

    The U.S. Department of Energy has selected caustic-side solvent extraction as the preferred cesium removal technology for the treatment of high-level waste stored at the Savannah River Site. Data for the solubility of the extractant, calix[4]arene-bis(tert-octyl benzo-crown-6), acquired and reported for the Salt Processing Program down-select decision, showed the original solvent composition to be supersaturated with respect to the extractant. Although solvent samples have been observed for approximately 1 year without any solids formation, work was completed to define a new solvent composition that was thermodynamically stable with respect to solids formation and to expand the operating temperature with respect to third-phase formation. Chemical and physical data as a function of solvent component concentrations were collected. The data included calix[4]arene-bis(tert-octyl benzo-crown-6) solubility; cesium distribution ratio under extraction, scrub, and strip conditions; flow sheet robustness; temperature range of third-phase formation; dispersion numbers for the solvent against waste simulant, scrub and strip acids, and sodium hydroxide wash solutions; solvent density; viscosity; and surface and interfacial tension. These data were mapped against a set of predefined performance criteria. The composition of 0.007 M calix[4]arene-bis(tert-octyl benzo-crown-6), 0.75 M 1-(2,2,3,3-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol, and 0.003 M tri-n-octylamine in the diluent Isopar{reg_sign} L provided the best match between the measured properties and the performance criteria. Therefore, it is recommended as the new baseline solvent composition.

  7. Solvent-free microwave-assisted extraction of fluoroquinolones from soil and liquid chromatography-fluorescence determination.

    PubMed

    Sturini, Michela; Speltini, Andrea; Maraschi, Federica; Rivagli, Elisa; Profumo, Antonella

    2010-11-19

    Presented hereafter is a novel method entailing solvent free microwave-assisted extraction (MAE) and HPLC equipped with Fluorimetric Detector (HPLC-FD) for the simultaneous determination at μgkg(-1) concentration of eight fluoroquinolone antibiotics (FQs) (Ciprofloxacin, Danofloxacin, Enrofloxacin, Flerofloxacin, Levofloxacin, Marbofloxacin, Norfloxacin and Orbifloxacin) in agricultural soils. The extraction was quantitatively performed, in a single step, by using an aqueous solution containing Mg(II) as complexing agent, thus avoiding consumption of organic solvents. The optimal MAE conditions have been established through a chemometric approach by considering temperature, irradiation time and matrix moisture or solvent, as the most important recognized variables affecting the extraction yield. Satisfying recoveries (69-110%, spikes 0.03-0.5mgkg(-1)) were gained with a single MAE cycle of 20min, at 80°C in 20% (w/v) Mg(NO(3))(2) solution as leaching agent. MAE-SPE recoveries at 10μgkg(-1), concentration near method quantification limits (MQLs), were in the range 60-85%. Good repeatability and within-lab reproducibility were observed (both in the range 1-16%). The applicability of the method to real samples was assessed on natural contaminated soils. Compared to ultrasonic-assisted extraction (UAE), MAE was shown to be highly competitive in terms of extraction efficacy and analysis speed. Copyright © 2010 Elsevier B.V. All rights reserved.

  8. Ultrasound assisted enzyme catalyzed hydrolysis of waste cooking oil under solvent free condition.

    PubMed

    Waghmare, Govind V; Rathod, Virendra K

    2016-09-01

    The present work demonstrates the hydrolysis of waste cooking oil (WCO) under solvent free condition using commercial available immobilized lipase (Novozyme 435) under the influence of ultrasound irradiation. The process parameters were optimized using a sequence of experimental protocol to evaluate the effects of temperature, molar ratios of substrates, enzyme loading, duty cycle and ultrasound intensity. It has been observed that ultrasound-assisted lipase-catalyzed hydrolysis of WCO would be a promising alternative for conventional methods. A maximum conversion of 75.19% was obtained at mild operating parameters: molar ratio of oil to water (buffer pH 7) 3:1, catalyst loading of 1.25% (w/w), lower ultrasound power 100W (ultrasound intensity - 7356.68Wm(-2)), duty cycle 50% and temperature (50°C) in a relatively short reaction time (2h). The activation energy and thermodynamic study shows that the hydrolysis reaction is more feasible when ultrasound is combined with mechanical agitation as compared with the ultrasound alone and simple conventional stirring technique. Application of ultrasound considerably reduced the reaction time as compared to conventional reaction. The successive use of the catalyst for repetitive cycles under the optimum experimental conditions resulted in a loss of enzymatic activity and also minimized the product conversion. Copyright © 2016. Published by Elsevier B.V.

  9. Carbon Coated SnS/SnO2 Heterostructures Wrapping on CNFs as an Improved-Performance Anode for Li-Ion Batteries: Lithiation-Induced Structural Optimization upon Cycling.

    PubMed

    Lian, Qingwang; Zhou, Gang; Zeng, Xiaohui; Wu, Chen; Wei, Yuehua; Cui, Chao; Wei, Weifeng; Chen, Libao; Li, Chengchao

    2016-11-09

    Carbon coated SnS/SnO2 heterostructures wrapping on carbon nanofibers (C@SnS/SnO2@CNFs) was demonstrated to have excellent performance as an anode material for Li-ion batteries. C@SnS/SnO2@CNFs electrode delivers high reversible capacity of 826.8 mA h g(-1) (500th cycle) at the current density of 1.0 A g(-1). However, an interesting phenomenon of increasing capacity on cycling can be observed. According to the analysis of the evolution of structure and electrochemical property, C@SnS/SnO2@CNFs is demonstrated to experience the progress of conversion from nanowalls containing polycrystals into amorphous nanosheets with high porosity and larger surface upon cycling. The above lithiation-induced structural optimization provides larger effective surface areas and encourages the conversion reactions, which can promote charge transfer and also enhance the reversibility of the conversion reactions of SnS and SnO2 inducing the increasing reversible capacity. The study explains the progress of increasing capacity of C@SnS/SnO2@CNFs and likewise provides a perspective on optimization of the electrochemical performance of electrodes.

  10. Impact of Solvents Treatment on the Wettability of Froth Solids

    NASA Astrophysics Data System (ADS)

    Yang, Fan

    The purpose of this study is to investigate the impact of solvent addition to bitumen froth on the wettability of froth solids. The wettability of solids determines the transportation/partitioning of the solids between phases, which in turn affects the solids and water rejection in a Clark hot water extraction process (CHWE). The impact of solvents treatment on the wettability of froth solids was studied using both a model system and a real bitumen froth system. The vulnerabilities of four kinds of model minerals to hydrocarbon contamination/wettability alteration in different solvents were compared and discussed by considering solvent composition and mineral types. The wettability of solids extracted from the industrial froth using different solvents was also compared. The XRD analysis on these solids confirmed the partitioning behavior of solids observed in model solids system. The results from this study indicate that the composition of paraffinic/aromatic solvent in an industrial froth treatment process could be tailor-optimized to achieve a better solids/water rejection.

  11. SOLV-DB: Solvents Data

    DOE Data Explorer

    SOLV-DB provides a specialized mix of information on commercially available solvents. The development of the database was funded under the Strategic Environmental Research and Development Program (SERDP) with funds from EPA and DOE's Office of Industrial Technologies in EE. The information includes: • Health and safety considerations involved in choosing and using solvents • Chemical and physical data affecting the suitability of a particular solvent for a wide range of potential applications • Regulatory responsibilities, including exposure and effluent limits, hazard classification status with respect to several key statutes, and selected reporting requirements • Environmental fate data, to indicate whether a solvent is likely to break down or persist in air or water, and what types of waste treatment techniques may apply to it • CAS numbers (from Chemical Abstracts Service) and Sax Numbers (from Sax, et.al., Dangerous Properties of Industrial Materials) Supplier Information See help information at http://solvdb.ncms.org/welcome.htm (Specialized Interface)

  12. ON-SITE SOLVENT RECOVERY

    EPA Science Inventory

    This study evaluated the product quality, waste reduction/pollution prevention, and economic aspects of three technologies for onsite solvent recovery: atmospheric batch distillation, vacuum heat-pump distillation, and low-emission vapor degreasing. The atmospheric and vacuum ...

  13. ON-SITE SOLVENT RECOVERY

    EPA Science Inventory

    This study evaluated the product quality, waste reduction/pollution prevention, and economic aspects of three technologies for onsite solvent recovery: atmospheric batch distillation, vacuum heat-pump distillation, and low-emission vapor degreasing. The atmospheric and vacuum ...

  14. RESIDUAL RISK ASSESSMENT: HALOGENATED SOLVENTS

    EPA Science Inventory

    This source category previously subjected to a technology-based standard will be examined to determine if health or ecological risks are significant enough to warrant further regulation for Halogenated Solvent Degreasing Facilities. These assessments utilize existing models and d...

  15. ICE: Ionic contrast enhancement for organic solvent negative tone develop

    NASA Astrophysics Data System (ADS)

    Sundberg, Linda K.; Wallraff, Gregory M.; Bozano, Luisa D.; Truong, Hoa D.; Sanchez, Martha I.; Goldfarb, Dario L.; Petrillo, Karen E.; Hinsberg, William D.

    2014-03-01

    The use of organic solvents in the development of chemically amplified (CA) resists has been known since the introduction of DUV lithography into manufacturing over twenty years ago [1,2]. In this approach a negative tone image is produced using an aqueous base developable positive tone resist developed in an organic solvent. Recently there has been an increased interest in negative tone imaging due to superior performance for specific masking levels such as narrow trenches and contact holes [3]. Negative tone imaging of this type is based on differences in the polarity between the exposed and unexposed regions of the resist film. The dissolution contrast can be optimized by selecting a solvent with the proper match of solubility parameters (polarity, hydrogen bonding and dispersion) to attain good solubility of the relatively nonpolar unexposed resist and poor solubility of the deprotected acidic exposed film. Another approach is to tune the properties of the resist polymer for a given solvent, creating a new optimized resist. We have explored a third methodology to achieve a high contrast solvent developable system without a need to modify resist or solvent. In this report we describe a process that exploits the differences in solubility between ionic and organic materials. In this method an ionic species is introduced into the resist film following post-exposure bake to alter the polarity in such way that the resist contrast can be improved in organic solvent development. We describe processes using pre-rinses and developers containing salts. Lithographic response, characterized using contrast curves and imaging, is presented for a variety of resist platforms. We show evidence for ionic incorporation into the resist film using SIMS, XPS, QCM and FTIR characterization. We demonstrate the practical applicability of this method to 248nm, 193nm, e-beam and EUV exposures.

  16. Applied biotransformations in green solvents.

    PubMed

    Hernáiz, María J; Alcántara, Andrés R; García, José I; Sinisterra, José V

    2010-08-16

    The definite interest in implementing sustainable industrial technologies has impelled the use of biocatalysts (enzymes or cells), leading to high chemo-, regio- and stereoselectivities under mild conditions. As usual substrates are not soluble in water, the employ of organic solvents is mandatory. We will focus on different attempts to combine the valuable properties of green solvents with the advantages of using biocatalysts for developing cleaner synthetic processes.

  17. TALSPEAK Solvent Degradation

    SciTech Connect

    Leigh R. Martin; Bruce J. Mincher

    2009-09-01

    Understanding the radiolytic degradation behavior of organic molecules involved in new or existing schemes for the recycle of used nuclear fuels is of significant interest for sustaining a closed nuclear fuel cycle. Here we have conducted several lines of investigation to begin understanding the effects of radiolysis on the aqueous phase of the TALSPEAK process for the separation of the trivalent lanthanides from the trivalent actinides. Using the 60-Co irradiator at the INL, we have begun to quantify the effects of radiation on the aqueous phase complexants used in this separation technique, and how this will affect the actinide lanthanide separation factor. In addition we have started to develop methodologies for stable product identification, a key element in determining the degradation pathways. We have also introduced a methodology to investigate the effects of alpha radiolysis that has previously received limited attention.

  18. Optimization of bioelectricity generation in fed-batch microbial fuel cell: effect of electrode material, initial substrate concentration, and cycle time.

    PubMed

    Cirik, Kevser

    2014-05-01

    Effective wastewater treatment and electricity generation using dual-chamber microbial fuel cell (MFC) will require a better understanding of how operational parameters affect system performance. Therefore, the main aim of this study is to investigate the bioelectricity production in a dual-chambered MFC-operated batch mode under different operational conditions. Initially, platinum (Pt) and mixed metal oxide titanium (Ti-TiO2) electrodes were used to investigate the influence of the electrode materials on the power generation at initial dissolved organic carbon (DOC) concentration of 400 mg/L and cycle time of 15 days. MFC equipped with Ti-TiO2 electrode performed better and was used to examine the effect of influent DOC concentration and cycle time on MFC performance. Increasing influent DOC concentration resulted in improving electricity generation, corresponding to a 1.65-fold increase in power density. However, decrease in cycle time from 15 to 5 days adversely affected reactor performance. Maximum DOC removal was 90 ± 3 %, which was produced at 15-day cycle time with an initial DOC of 3,600 mg/L, corresponding to maximum power generation of about 7,205 mW/m(2).

  19. SFO-solvent freeze out-technology for industrial proteins

    NASA Astrophysics Data System (ADS)

    Diaz Borbon, V. P.; Ulrich, J.

    2013-06-01

    The solvent freeze out (SFO) technology for protein crystallization involves a solid-layer melt crystallization to freeze out the solvent and therefore to supersaturate the protein solution where protein crystals are formed. Herewith, the optimization strategy for the SFO in terms of yield, activity and quality of the protein crystals is presented. It is based on technical concepts of melt and solution crystallizations, design of experiments (DOE) and previous results on lysozyme crystallization. The motivation has been the necessity of an efficient crystallization process which preserves a good quality of the protein crystals, has a retention time of only few hours, involves low costs and is on top of it environmentally friendly.

  20. Solvent/Non-Solvent Sintering To Make Microsphere Scaffolds

    NASA Technical Reports Server (NTRS)

    Laurencin, Cato T.; Brown, Justin L.; Nair, Lakshmi

    2011-01-01

    A solvent/non-solvent sintering technique has been devised for joining polymeric microspheres to make porous matrices for use as drug-delivery devices or scaffolds that could be seeded with cells for growing tissues. Unlike traditional sintering at elevated temperature and pressure, this technique is practiced at room temperature and pressure and, therefore, does not cause thermal degradation of any drug, protein, or other biochemical with which the microspheres might be loaded to impart properties desired in a specific application. Also, properties of scaffolds made by this technique are more reproducible than are properties of comparable scaffolds made by traditional sintering. The technique involves the use of two miscible organic liquids: one that is and one that is not a solvent for the affected polymer. The polymeric microspheres are placed in a mold having the size and shape of the desired scaffold, then the solvent/non-solvent mixture is poured into the mold to fill the void volume between the microspheres, then the liquid mixture is allowed to evaporate. Some of the properties of the resulting scaffold can be tailored through choice of the proportions of the liquids and the diameter of the microspheres.

  1. Computational comparison of oxidation stability: Solvent/salt monomers vs solvent-solvent/salt pairs

    NASA Astrophysics Data System (ADS)

    Kim, Dong Young; Park, Min Sik; Lim, Younhee; Kang, Yoon-Sok; Park, Jin-Hwan; Doo, Seok-Gwang

    2015-08-01

    A fundamental understanding of the anodic stabilities of electrolytes is important for the development of advanced high-voltage electrolytes. In this study, we calculated and systematically compared the oxidation stabilities of monomeric solvents and anions, and bimolecular solvent-solvent and anion-solvent systems that are considered to be high-voltage electrolyte components, using ab initio calculations. Oxidation stabilities of solvent or anion monomers without considering specific solvation molecules cannot represent experimental oxidation stabilities. The oxidation of electrolytes usually forms neutral or cationic radicals, which immediately undergo further reactions stabilizing the products. Oxidatively driven intermolecular reactions are the main reason for the lower oxidation stabilities of electrolytes compared with those of monomeric compounds. Electrolyte components such as tetramethylene sulfone (TMS), ethyl methyl sulfone (EMS), bis(oxalate)borate (BOB-), and bis(trifluoromethane)sulfonamide (TFSI-) that minimize such intermolecular chemical reactions on oxidation can maintain the oxidation stabilities of monomers. In predictions of the theoretical oxidation stabilities of electrolytes, simple comparisons of highest occupied molecular orbital energies can be misleading, even if microsolvation or bulk clusters are considered. Instead, bimolecular solvent complexes with a salt anion should be at least considered in oxidation calculations. This study provides important information on fundamental and applied aspects of the development of electrolytes.

  2. Up-cycling waste glass to minimal water adsorption/absorption lightweight aggregate by rapid low temperature sintering: optimization by dual process-mixture response surface methodology.

    PubMed

    Velis, Costas A; Franco-Salinas, Claudia; O'Sullivan, Catherine; Najorka, Jens; Boccaccini, Aldo R; Cheeseman, Christopher R

    2014-07-01

    Mixed color waste glass extracted from municipal solid waste is either not recycled, in which case it is an environmental and financial liability, or it is used in relatively low value applications such as normal weight aggregate. Here, we report on converting it into a novel glass-ceramic lightweight aggregate (LWA), potentially suitable for high added value applications in structural concrete (upcycling). The artificial LWA particles were formed by rapidly sintering (<10 min) waste glass powder with clay mixes using sodium silicate as binder and borate salt as flux. Composition and processing were optimized using response surface methodology (RSM) modeling, and specifically (i) a combined process-mixture dual RSM, and (ii) multiobjective optimization functions. The optimization considered raw materials and energy costs. Mineralogical and physical transformations occur during sintering and a cellular vesicular glass-ceramic composite microstructure is formed, with strong correlations existing between bloating/shrinkage during sintering, density and water adsorption/absorption. The diametrical expansion could be effectively modeled via the RSM and controlled to meet a wide range of specifications; here we optimized for LWA structural concrete. The optimally designed LWA is sintered in comparatively low temperatures (825-835 °C), thus potentially saving costs and lowering emissions; it had exceptionally low water adsorption/absorption (6.1-7.2% w/wd; optimization target: 1.5-7.5% w/wd); while remaining substantially lightweight (density: 1.24-1.28 g.cm(-3); target: 0.9-1.3 g.cm(-3)). This is a considerable advancement for designing effective environmentally friendly lightweight concrete constructions, and boosting resource efficiency of waste glass flows.

  3. Recombinant LH supplementation during IVF cycles with a GnRH-antagonist in estimated poor responders: A cross-matched pilot investigation of the optimal daily dose and timing

    PubMed Central

    GIZZO, SALVATORE; ANDRISANI, ALESSANDRA; NOVENTA, MARCO; MANFÈ, SERENA; OLIVA, ALESSANDRA; GANGEMI, MICHELE; NARDELLI, GIOVANNI BATTISTA; AMBROSINI, GUIDO

    2015-01-01

    Although it is widely accepted that patients, who are considered poor responders to in vitro fertilization (IVF) benefit from recombinant luteinizing hormone (rLH) supplementation during an in vitro fertilization cycle, particularly when gonadotropin-releasing hormone (GnRH) antagonist (ant) treatment is used the optimal administration timing and daily dose of rLH remains to be elucidated. The aim of the present study was to investigate the optimal timing of rLH-supplementation to improve ovarian response, embryo quality, endometrial thickness and pregnancy rate in infertile, estimated poor responders to IVF, undergoing GnRH-ant treatment. In addition, the present study aimed to evaluate the optimal daily dose to achieve the same outcomes. A prospective-randomized-cross-matched investigation was performed on 40 patients undergoing a GnRH-ant-treatment-cycle The patients were randomly assigned to either group A (rLH-75 IU/day) or group B (rLH-150 IU/day) and further randomized into subgroup A1/B1, in which rLH was administered at recombinant follicle stimulating hormone (rFSH) administration, and subgroup A2/B2, in which rLH was administered at GnRH-ant administration. Patients who did not become pregnant during the first cycle (35 patients), were treated a second time, cross-matched for groups and subgroups. Improved ovarian response, embryo quality and pregnancy rate were achieved by administering rLH at 150 IU/day, starting from GnRH-ant administration, independently from the total rLH dose administered. Improved endometrial thickness at oocyte retrieval day was achieved by administering rLH at 150 IU from the start of rFSH administration. These data led to the hypothesis that ovarian responses are affected by the timing of administration more than the total-dose of rLH. The optimal window to administer rLH appears to be the mid-to-late follicular phase, despite the fact that rLH-supplementation in the early follicular phase appeared to increase endometrial

  4. Coal liquefaction process with enhanced process solvent

    DOEpatents

    Givens, Edwin N.; Kang, Dohee

    1984-01-01

    In an improved coal liquefaction process, including a critical solvent deashing stage, high value product recovery is improved and enhanced process-derived solvent is provided by recycling second separator underflow in the critical solvent deashing stage to the coal slurry mix, for inclusion in the process solvent pool.

  5. Method of treating radioactively contaminated solvent waste

    SciTech Connect

    Jablonski, W.; Mallek, H.; Plum, W.

    1981-07-07

    A method of and apparatus for treating radioactively contaminated solvent waste are claimed. The solvent waste is supplied to material such as peat, vermiculite, diaton, etc. This material effects the distribution or dispersion of the solvent and absorbs the foreign substances found in the solvent waste. Air or an inert gas flows through the material in order to pick up the solvent portions which are volatile as a consequence of their vapor pressure. The thus formed gas mixture, which includes air or inert gas and solvent portions, is purified in a known manner by thermal, electrical, or catalytic combustion of the solvent portions.

  6. Acid Base Titrations in Nonaqueous Solvents and Solvent Mixtures

    NASA Astrophysics Data System (ADS)

    Barcza, Lajos; Buvári-Barcza, Ágnes

    2003-07-01

    The acid base determination of different substances by nonaqueous titrations is highly preferred in pharmaceutical analyses since the method is quantitative, exact, and reproducible. The modern interpretation of the reactions in nonaqueous solvents started in the last century, but several inconsistencies and unsolved problems can be found in the literature. The acid base theories of Brønsted Lowry and Lewis as well as the so-called solvent theory are outlined first, then the promoting (and leveling) and the differentiating effects are discussed on the basis of the hydrogen-bond concept. Emphasis is put on the properties of formic acid and acetic anhydride since their importance is increasing.

  7. DOE solvent handbook information sheet

    SciTech Connect

    Chavez, A.A.

    1992-01-01

    Solvents and cleaners are used in the Department of Defense (DOD) and the Department of Energy-Defense Program (DOE-DP) maintenance facilities for removing wax, grease, oil, carbon, machining fluids, solder fluxes, mold releases, and other contaminants before repairing or electroplating parts. Private industry also uses cleaners and degreasers for surface preparation of various metals. Growing environmental and worker safety concerns have brought attention to these solvents and cleaners, most of which are classified as toxic. Tightening government regulations have already excluded the use of some chemicals, and restrict the use of various halogenated hydrocarbons because of their atmospheric-ozone depleting effects, as well as their cancer-related risks. As a result, a program was established to develop an efficient, easily accessible, electronic solvent utilization handbook. This is being accomplished by: (1) identifying solvents (alternatives) that are not currently restricted by government regulations for use DOE-DP facilities, and private industry, (2) evaluating their cleaning performance, (3) evaluating their corrosivity, (4) evaluating their air emissions, (5) evaluating the possibility of recycling or recovering all or portions of the alternative degreasers, (6) testing substitute solvents compatibility with non-metallic materials, (7) inputting all of the data gathered (including previous biodegradability information) into a database, and (8) developing a methodology for efficient, widespread access to the data base information system.

  8. DOE solvent handbook information sheet

    SciTech Connect

    Chavez, A.A.

    1992-05-01

    Solvents and cleaners are used in the Department of Defense (DOD) and the Department of Energy-Defense Program (DOE-DP) maintenance facilities for removing wax, grease, oil, carbon, machining fluids, solder fluxes, mold releases, and other contaminants before repairing or electroplating parts. Private industry also uses cleaners and degreasers for surface preparation of various metals. Growing environmental and worker safety concerns have brought attention to these solvents and cleaners, most of which are classified as toxic. Tightening government regulations have already excluded the use of some chemicals, and restrict the use of various halogenated hydrocarbons because of their atmospheric-ozone depleting effects, as well as their cancer-related risks. As a result, a program was established to develop an efficient, easily accessible, electronic solvent utilization handbook. This is being accomplished by: (1) identifying solvents (alternatives) that are not currently restricted by government regulations for use DOE-DP facilities, and private industry, (2) evaluating their cleaning performance, (3) evaluating their corrosivity, (4) evaluating their air emissions, (5) evaluating the possibility of recycling or recovering all or portions of the alternative degreasers, (6) testing substitute solvents compatibility with non-metallic materials, (7) inputting all of the data gathered (including previous biodegradability information) into a database, and (8) developing a methodology for efficient, widespread access to the data base information system.

  9. Helpful hints for physical solvent absorption

    SciTech Connect

    Wolfer, W.

    1982-11-01

    Review of experience with natural gas treatment using physical solvents points to design and operating suggestions. Experiences with three plants using either Selexol or Sepasolv MPE solvent shows that both solvents perform well. The solvents offer economical and problem-free purification of natural gas. The Sepasolv MPE and Selexol solvents are very similar in chemical structure and physical properties. Thus, their application range is almost similar. An exchange is possible in most plants without equipment modification and/or process data.

  10. Development of India-specific RAFM steel through optimization of tungsten and tantalum contents for better combination of impact, tensile, low cycle fatigue and creep properties

    NASA Astrophysics Data System (ADS)

    Laha, K.; Saroja, S.; Moitra, A.; Sandhya, R.; Mathew, M. D.; Jayakumar, T.; Rajendra Kumar, E.

    2013-08-01

    Effects of tungsten and tantalum contents on impact, tensile, low cycle fatigue and creep properties of Reduced Activation Ferritic-Martensitic (RAFM) steel were studied to develop India-specific RAFM steel. Four heats of the steel have been melted with tungsten and tantalum contents in the ranges 1-2 wt.% and 0.06-0.14 wt.% respectively. Increase in tungsten content increased the ductile-to-brittle transition temperature (DBTT), low cycle fatigue and creep strength of the steel, whereas the tensile strength was not changed significantly. Increase in tantalum content increased the DBTT and low cycle fatigue strength of the steel whereas the tensile and creep strength decreased. Detailed TEM investigations revealed enhanced microstructural stability of the steel against creep exposure on tungsten addition. The RAFM steel having 1.4 wt.% tungsten with 0.06 wt.% tantalum was found to possess optimum combination of impact, tensile, low cycle fatigue and creep properties and is considered for Indian-specific RAFM steel. Low temperature impact energy of the RAFM steel is quite sensitive to the contents of tungsten and tantalum. The DBTT increased with both the tungsten and tantalum contents. Tungsten and tantalum contents in the investigated ranges had no appreciable effect on the tensile properties of the RAFM steel. Low cycle fatigue life of the RAFM steel increased with the increase in tungsten and tantalum contents. The softening rate with cyclic exposure was lowest for tungsten content of 1.4 wt.%, further increase in tungsten led to an increase in softening rate. Creep deformation and rupture strength of the RAFM steel were found to be quite sensitive to the tungsten and tantalum contents. Creep strength of the steel increased with increase in tungsten content and decreased with increase in tantalum content. Based on the study, the chemical composition of India-specific RAFM steel has been established as 9Cr-1.4W-0.06Ta-V, having optimum combination of strength and

  11. Solvent sensitive polymer composite structures

    NASA Astrophysics Data System (ADS)

    Chiappini, A.; Armellini, C.; Carpentiero, A.; Minati, L.; Righini, G. C.; Ferrari, M.

    2013-11-01

    In this paper we describe a composite system based on polystyrene colloidal nanoparticles assembled and embedded in an elastomeric matrix (polymer colloidal crystal, PCC), in the specific we have designed a PCC structure which displays an iridescent green color that can be attributed to the photonic crystal effect. This effect has been exploited to create a chemical sensor, in fact optical measurements have evidenced that the composite structure presents a different optical response as a function of the solvent applied on the surface. In particular we have demonstrated that the PCC possess, for specific solvents: (i) high sensitivity, (ii) fast response (less than 1s), and (iii) reversibility of the signal change. Finally preliminary results on the PCC have shown that this system can be also used as optical writing substrate using a specific solvent as ink, moreover an erasing procedure is also reported and discussed.

  12. Solvent-regenerated activated carbon

    SciTech Connect

    McLaughlin, H. )

    1988-07-01

    This report summarizes the results of a University/Industry research project, sponsored by the New York State Energy Research and Development Authority and Fluids Design Corporation. The research project studied the solvent regeneration of activated carbon. Activate carbon was used to remove trace organics from aqueous streams, then regenerated by desorbing the adsorbates with organic solvents. The project included a survey of the potential applications in New York State industries, fundamental research on the adsorption/desorption phenomena, and design of a full-scale process. The economics of the full-scale process were evaluated and compared to alternate available technologies. The result of this work is a versatile process with attractive economics. A wide range of adsorbates and solvents were found to be acceptable for this process. The design methodologies are developed and the techniques for evaluating a new application are delineated. 13 refs., 12 figs., 4 tabs.

  13. Refinement of protein structures in explicit solvent.

    PubMed

    Linge, Jens P; Williams, Mark A; Spronk, Christian A E M; Bonvin, Alexandre M J J; Nilges, Michael

    2003-02-15

    We present a CPU efficient protocol for refinement of protein structures in a thin layer of explicit solvent and energy parameters with completely revised dihedral angle terms. Our approach is suitable for protein structures determined by theoretical (e.g., homology modeling or threading) or experimental methods (e.g., NMR). In contrast to other recently proposed refinement protocols, we put a strong emphasis on consistency with widely accepted covalent parameters and computational efficiency. We illustrate the method for NMR structure calculations of three proteins: interleukin-4, ubiquitin, and crambin. We show a comparison of their structure ensembles before and after refinement in water with and without a force field energy term for the dihedral angles; crambin was also refined in DMSO. Our results demonstrate the significant improvement of structure quality by a short refinement in a thin layer of solvent. Further, they show that a dihedral angle energy term in the force field is beneficial for structure calculation and refinement. We discuss the optimal weight for the energy constant for the backbone angle omega and include an extensive discussion of meaning and relevance of the calculated validation criteria, in particular root mean square Z scores for covalent parameters such as bond lengths.

  14. Solvent reorganization of electron transitions in viscous solvents

    SciTech Connect

    Ghorai, Pradip K.; Matyushov, Dmitry V.

    2006-04-14

    We develop a model of electron transfer reactions at conditions of nonergodicity when the time of solvent relaxation crosses the observation time window set up by the reaction rate. Solvent reorganization energy of intramolecular electron transfer in a charge-transfer molecule dissolved in water and acetonitrile is studied by molecular dynamics simulations at varying temperatures. We observe a sharp decrease of the reorganization energy at a temperature identified as the temperature of structural arrest due to cage effect, as discussed by the mode-coupling theory. This temperature also marks the onset of the enhancement of translational diffusion relative to rotational relaxation signaling the breakdown of the Stokes-Einstein relation. The change in the reorganization energy at the transition temperature reflects the dynamical arrest of the slow, collective relaxation of the solvent related to the relaxation of the solvent dipolar polarization. An analytical theory proposed to describe this effect agrees well with both the simulations and experimental Stokes shift data. The theory is applied to the analysis of charge-transfer kinetics in a low-temperature glass former. We show that the reorganization energy is substantially lower than its equilibrium value for the low-temperature portion of the data. The theory predicts the possibility of discontinuous changes in the dependence of the electron transfer rate on the free energy gap when the reaction switches between ergodic and nonergodic regimes.

  15. Connecting Free Energy Surfaces in Implicit and Explicit Solvent: an Efficient Method to Compute Conformational and Solvation Free Energies

    PubMed Central

    Deng, Nanjie; Zhang, Bin W.; Levy, Ronald M.

    2015-01-01

    The ability to accurately model solvent effects on free energy surfaces is important for understanding many biophysical processes including protein folding and misfolding, allosteric transitions and protein-ligand binding. Although all-atom simulations in explicit solvent can provide an accurate model for biomolecules in solution, explicit solvent simulations are hampered by the slow equilibration on rugged landscapes containing multiple basins separated by barriers. In many cases, implicit solvent models can be used to significantly speed up the conformational sampling; however, implicit solvent simulations do not fully capture the effects of a molecular solvent, and this can lead to loss of accuracy in the estimated free energies. Here we introduce a new approach to compute free energy changes in which the molecular details of explicit solvent simulations are retained while also taking advantage of the speed of the implicit solvent simulations. In this approach, the slow equilibration in explicit solvent, due to the long waiting times before barrier crossing, is avoided by using a thermodynamic cycle which connects the free energy basins in implicit solvent and explicit solvent using a localized decoupling scheme. We test this method by computing conformational free energy differences and solvation free energies of the model system alanine dipeptide in water. The free energy changes between basins in explicit solvent calculated using fully explicit solvent paths agree with the corresponding free energy differences obtained using the implicit/explicit thermodynamic cycle to within 0.3 kcal/mol out of ~3 kcal/mol at only ~8 % of the computational cost. We note that WHAM methods can be used to further improve the efficiency and accuracy of the explicit/implicit thermodynamic cycle. PMID:26236174

  16. Connecting free energy surfaces in implicit and explicit solvent: an efficient method to compute conformational and solvation free energies.

    PubMed

    Deng, Nanjie; Zhang, Bin W; Levy, Ronald M

    2015-06-09

    The ability to accurately model solvent effects on free energy surfaces is important for understanding many biophysical processes including protein folding and misfolding, allosteric transitions, and protein–ligand binding. Although all-atom simulations in explicit solvent can provide an accurate model for biomolecules in solution, explicit solvent simulations are hampered by the slow equilibration on rugged landscapes containing multiple basins separated by barriers. In many cases, implicit solvent models can be used to significantly speed up the conformational sampling; however, implicit solvent simulations do not fully capture the effects of a molecular solvent, and this can lead to loss of accuracy in the estimated free energies. Here we introduce a new approach to compute free energy changes in which the molecular details of explicit solvent simulations are retained while also taking advantage of the speed of the implicit solvent simulations. In this approach, the slow equilibration in explicit solvent, due to the long waiting times before barrier crossing, is avoided by using a thermodynamic cycle which connects the free energy basins in implicit solvent and explicit solvent using a localized decoupling scheme. We test this method by computing conformational free energy differences and solvation free energies of the model system alanine dipeptide in water. The free energy changes between basins in explicit solvent calculated using fully explicit solvent paths agree with the corresponding free energy differences obtained using the implicit/explicit thermodynamic cycle to within 0.3 kcal/mol out of ∼3 kcal/mol at only ∼8% of the computational cost. We note that WHAM methods can be used to further improve the efficiency and accuracy of the implicit/explicit thermodynamic cycle.

  17. Solvent extraction of gold using ionic liquid based process

    NASA Astrophysics Data System (ADS)

    Makertihartha, I. G. B. N.; Zunita, Megawati; Rizki, Z.; Dharmawijaya, P. T.

    2017-01-01

    In decades, many research and mineral processing industries are using solvent extraction technology for metal ions separation. Solvent extraction technique has been used for the purification of precious metals such as Au and Pd, and base metals such as Cu, Zn and Cd. This process uses organic compounds as solvent. Organic solvents have some undesired properties i.e. toxic, volatile, excessive used, flammable, difficult to recycle, low reusability, low Au recovery, together with the problems related to the disposal of spent extractants and diluents, even the costs associated with these processes are relatively expensive. Therefore, a lot of research have boosted into the development of safe and environmentally friendly process for Au separation. Ionic liquids (ILs) are the potential alternative for gold extraction because they possess several desirable properties, such as a the ability to expanse temperature process up to 300°C, good solvent properties for a wide range of metal ions, high selectivity, low vapor pressures, stability up to 200°C, easy preparation, environmentally friendly (commonly called as "green solvent"), and relatively low cost. This review paper is focused in investigate of some ILs that have the potentials as solvent in extraction of Au from mineral/metal alloy at various conditions (pH, temperature, and pressure). Performances of ILs extraction of Au are studied in depth, i.e. structural relationship of ILs with capability to separate Au from metal ions aggregate. Optimal extraction conditon in order to gain high percent of Au in mineral processing is also investigated.

  18. Menstrual Cycle

    MedlinePlus

    ... receive Pregnancy email updates Enter email Submit The menstrual cycle Day 1 starts with the first day of ... drop around Day 25 . This signals the next menstrual cycle to begin. The egg will break apart and ...

  19. Controlling successive ionic layer absorption and reaction cycles to optimize silver nanoparticle-induced localized surface plasmon resonance effects on the paper strip.

    PubMed

    Lee, Jae-Chul; Kim, Wansun; Park, Hun-Kuk; Choi, Samjin

    2017-03-05

    This study investigates why a silver nanoparticle (SNP)-induced surface-enhanced Raman scattering (SERS) paper chip fabricated at low successive ionic layer absorption and reaction (SILAR) cycles leads to a high SERS enhancement factor (7×10(8)) with an inferior nanostructure and without generating a hot spot effect. The multi-layered structure of SNPs on cellulose fibers, verified by magnified scanning electron microscopy (SEM) and analyzed by a computational simulation method, was hypothesized as the reason. The pattern of simulated local electric field distribution with respect to the number of SILAR cycles showed good agreement with the experimental Raman intensity, regardless of the wavelength of the excitation laser sources. The simulated enhancement factor at the 785-nm excitation laser source (2.8×10(9)) was 2.5 times greater than the experimental enhancement factor (1.1×10(9)). A 532-nm excitation laser source exhibited the highest maximum local electric field intensity (1.9×10(11)), particularly at the interparticle gap called a hot spot. The short wavelength led to a strong electric field intensity caused by strong electromagnetic coupling arising from the SNP-induced local surface plasmon resonance (LSPR) effects through high excitation energy. These findings suggest that our paper-based SILAR-fabricated SNP-induced LSPR model is valid for understanding SNP-induced LSPR effects.

  20. Controlling successive ionic layer absorption and reaction cycles to optimize silver nanoparticle-induced localized surface plasmon resonance effects on the paper strip

    NASA Astrophysics Data System (ADS)

    Lee, Jae-Chul; Kim, Wansun; Park, Hun-Kuk; Choi, Samjin

    2017-03-01

    This study investigates why a silver nanoparticle (SNP)-induced surface-enhanced Raman scattering (SERS) paper chip fabricated at low successive ionic layer absorption and reaction (SILAR) cycles leads to a high SERS enhancement factor (7 × 108) with an inferior nanostructure and without generating a hot spot effect. The multi-layered structure of SNPs on cellulose fibers, verified by magnified scanning electron microscopy (SEM) and analyzed by a computational simulation method, was hypothesized as the reason. The pattern of simulated local electric field distribution with respect to the number of SILAR cycles showed good agreement with the experimental Raman intensity, regardless of the wavelength of the excitation laser sources. The simulated enhancement factor at the 785-nm excitation laser source (2.8 × 109) was 2.5 times greater than the experimental enhancement factor (1.1 × 109). A 532-nm excitation laser source exhibited the highest maximum local electric field intensity (1.9 × 1011), particularly at the interparticle gap called a hot spot. The short wavelength led to a strong electric field intensity caused by strong electromagnetic coupling arising from the SNP-induced local surface plasmon resonance (LSPR) effects through high excitation energy. These findings suggest that our paper-based SILAR-fabricated SNP-induced LSPR model is valid for understanding SNP-induced LSPR effects.

  1. Optimization of the analogue-sensitive Cdc2/Cdk1 mutant by in vivo selection eliminates physiological limitations to its use in cell cycle analysis.

    PubMed

    Aoi, Yuki; Kawashima, Shigehiro A; Simanis, Viesturs; Yamamoto, Masayuki; Sato, Masamitsu

    2014-07-01

    Analogue-sensitive (as) mutants of kinases are widely used to selectively inhibit a single kinase with few off-target effects. The analogue-sensitive mutant cdc2-as of fission yeast (Schizosaccharomyces pombe) is a powerful tool to study the cell cycle, but the strain displays meiotic defects, and is sensitive to high and low temperature even in the absence of ATP-analogue inhibitors. This has limited the use of the strain for use in these settings. Here, we used in vivo selection for intragenic suppressor mutations of cdc2-as that restore full function in the absence of ATP-analogues. The cdc2-asM17 underwent meiosis and produced viable spores to a similar degree to the wild-type strain. The suppressor mutation also rescued the sensitivity of the cdc2-as strain to high and low temperature, genotoxins and an anti-microtubule drug. We have used cdc2-asM17 to show that Cdc2 activity is required to maintain the activity of the spindle assembly checkpoint. Furthermore, we also demonstrate that maintenance of the Shugoshin Sgo1 at meiotic centromeres does not require Cdc2 activity, whereas localization of the kinase aurora does. The modified cdc2-asM17 allele can be thus used to analyse many aspects of cell-cycle-related events in fission yeast.

  2. Organic Solvent Effects in Biomass Conversion Reactions.

    PubMed

    Shuai, Li; Luterbacher, Jeremy

    2016-01-01

    Transforming lignocellulosic biomass into fuels and chemicals has been intensely studied in recent years. A large amount of work has been dedicated to finding suitable solvent systems, which can improve the transformation of biomass into value-added chemicals. These efforts have been undertaken based on numerous research results that have shown that organic solvents can improve both conversion and selectivity of biomass to platform molecules. We present an overview of these organic solvent effects, which are harnessed in biomass conversion processes, including conversion of biomass to sugars, conversion of sugars to furanic compounds, and production of lignin monomers. A special emphasis is placed on comparing the solvent effects on conversion and product selectivity in water with those in organic solvents while discussing the origins of the differences that arise. We have categorized results as benefiting from two major types of effects: solvent effects on solubility of biomass components including cellulose and lignin and solvent effects on chemical thermodynamics including those affecting reactants, intermediates, products, and/or catalysts. Finally, the challenges of using organic solvents in industrial processes are discussed from the perspective of solvent cost, solvent stability, and solvent safety. We suggest that a holistic view of solvent effects, the mechanistic elucidation of these effects, and the careful consideration of the challenges associated with solvent use could assist researchers in choosing and designing improved solvent systems for targeted biomass conversion processes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Improved Purex solvent scrubbing methods

    SciTech Connect

    Mailen, J.C.; Tallent, O.K.

    1984-01-01

    Studies of hydrazine and hydroxylamine salts as solvent scrubbing agents that can be decomposed into gases are summarized. Results from testing of countercurrent scrubbers and solid sorber columns that produce lesser amounts of permanent salts are reported. The status of studies of the acid-degradation of paraffin diluent and the options for removal of long-chain organic acids is given.

  4. Risk assessment for halogenated solvents

    SciTech Connect

    Travis, C.C.

    1988-01-01

    A recent development in the cancer risk area is the advent of biologically based pharmacokinetic and pharmacodynamic models. These models allow for the incorporation of biological and mechanistic data into the risk assessment process. These advances will not only improve the risk assessment process for halogenated solvents but will stimulate and guide basic research in the biological area.

  5. Importance of Solvent Removal Rate on the Morphology and Device Performance of Organic Photovoltaics with Solvent Annealing.

    PubMed

    Lan, Shuqiong; Yang, Huihuang; Zhang, Guocheng; Wu, Xiaomin; Chen, Qizhen; Chen, Liang; Chen, Huipeng; Guo, Tailiang

    2017-06-21

    Solvent vapor annealing has been widely used in organic photovoltaics (OPV) to tune the morphology of bulk heterojunction active layer for the improvement of device performance. Unfortunately, the effect of solvent removal rate (SRR) after solvent annealing, which is one of the key factors that impact resultant morphology, on the morphology and device performance of OPV has never been reported. In this work, the nanoscale morphology of small molecule (SM):fullerene bulk heterojunction (BHJ) solar cell from different SRRs after solvent annealing was examined by small-angle neutron scattering and grazing incidence X-ray scattering. The results clearly demonstrate that the nanoscale morphology of SM:fullerene BHJ especially fullerene phase separation and concentration of fullerene in noncrystalline SM was significantly impacted by the SRR. The enhanced fullerene phase separation was found with a decrease of SRR, while the crystallinity and molecular packing of SM remained unchanged. Correlation to device performance shows that the balance between pure fullerene phase and mixing phase of SM and fullerene is crucial for the optimization of morphology and enhancement of device performance. Moreover, the specific interfacial area between pure fullerene phase and mixing phase is crucial for the electron transport and thus device performance. More importantly, this finding would provide a more careful and precise control of morphology of SM:fullerene BHJ and offers a guideline for further improvement of device performance with solvent annealing.

  6. Assessment of the impact of the next generation solvent on DWPF melter off-gas flammability

    SciTech Connect

    Daniel, W. E.

    2013-02-13

    An assessment has been made to evaluate the impact on the DWPF melter off-gas flammability of replacing the current solvent used in the Modular Caustic-Side Solvent Extraction Process Unit (MCU) process with the Next Generation Solvent (NGS-MCU) and blended solvent. The results of this study showed that the concentrations of nonvolatile carbon and hydrogen of the current solvent in the Slurry Mix Evaporator (SME) product would both be about 29% higher than their counterparts of the NGS-MCU and blended solvent in the absence of guanidine partitioning. When 6 ppm of guanidine (TiDG) was added to the effluent transfer to DWPF to simulate partitioning for the NGS-MCU and blended solvent cases and the concentration of Isopar{reg_sign} L in the effluent transfer was controlled below 87 ppm, the concentrations of nonvolatile carbon and hydrogen of the NGS-MCU and blended solvent were still about 12% and 4% lower, respectively, than those of the current solvent. It is, therefore, concluded that as long as the volume of MCU effluent transfer to DWPF is limited to 15,000 gallons per Sludge Receipt and Adjustment Tank (SRAT)/SME cycle and the concentration of Isopar{reg_sign} L in the effluent transfer is controlled below 87 ppm, using the current solvent assumption of 105 ppm Isopar{reg_sign} L or 150 ppm solvent in lieu of NGS-MCU or blended solvent in the DWPF melter off-gas flammability assessment is conservative for up to an additional 6 ppm of TiDG in the effluent due to guanidine partitioning. This report documents the calculations performed to reach this conclusion.

  7. Replacement solvents for use in chemical synthesis

    DOEpatents

    Molnar, Linda K.; Hatton, T. Alan; Buchwald, Stephen L.

    2001-05-15

    Replacement solvents for use in chemical synthesis include polymer-immobilized solvents having a flexible polymer backbone and a plurality of pendant groups attached onto the polymer backbone, the pendant groups comprising a flexible linking unit bound to the polymer backbone and to a terminal solvating moiety. The polymer-immobilized solvent may be dissolved in a benign medium. Replacement solvents for chemical reactions for which tetrahydrofuran or diethyl may be a solvent include substituted tetrahydrofurfuryl ethers and substituted tetrahydro-3-furan ethers. The replacement solvents may be readily recovered from the reaction train using conventional methods.

  8. Carbon dioxide-based supercritical fluids as IC manufacturing solvents

    SciTech Connect

    Rubin, J.B.; Davenhall, L.B.; Taylor, C.M.V.; Sivils, L.D.; Pierce, T.; Tiefert, K.

    1999-05-11

    The production of integrated circuits (IC's) involves a number of discrete steps which utilize hazardous or regulated solvents and generate large waste streams. ES&H considerations associated with these chemicals have prompted a search for alternative, more environmentally benign solvent systems. An emerging technology for conventional solvent replacement is the use of supercritical fluids based on carbon dioxide (CO{sub 2}). Research work, conducted at Los Alamos in conjunction with the Hewlett-Packard Company, has lead to the development of a CO{sub 2}-based supercritical fluid treatment system for the stripping of hard-baked photoresists. This treatment system, known as Supercritical CO{sub 2} Resist Remover, or CORR, uses a two-component solvent composed of a nonhazardous, non-regulated compound, dissolved in supercritical CO{sub 2}. The solvent/treatment system has been successfully tested on metallized Si wafers coated with negative and positive photoresist, the latter both before and after ion-implantation. A description of the experimental data will be presented. Based on the initial laboratory results, the project has progressed to the design and construction of prototype, single-wafer photoresist-stripping equipment. The integrated system involves a closed-loop, recirculating cycle which continuously cleans and regenerates the CO{sub 2}, recycles the dissolved solvent, and separates and concentrates the spent resist. The status of the current design and implementation strategy of a treatment system to existing IC fabrication facilities will be discussed. Additional remarks will be made on the use of a SCORR-type system for the cleaning of wafers prior to processing.

  9. Modeling Carbon Dioxide Capture by Monoethanolamine Solvent with ASPEN Plus

    NASA Astrophysics Data System (ADS)

    Luo, Tianyi

    Fossil fuels provide approximately 80% of the world's energy demands. Methods for reducing CO2 emissions resulting from fossil fuels include increasing the efficiency of power plants and production processes, decreasing energy demands, in combination with CO2 capture and long term storage (CCS). CO2 capture technologies include post-combustion, pre-combustion, and oxyfuel combustion. The amine-based post-combustion CO2 capture from a coal-fired power plant was studied in this thesis. In case of post-combustion capture, CO2 can be captured by Monoethanolamine solvent (MEA), a primary ethanolamine. MEA can associate with H3O+ to form an ion MEAH+, and can react with CO2 to form a carbonate ion MEACOO-. Commercial code ASPEN Plus was used to simulate the process of CO2 capture and optimize the process parameters and required energy duty. The major part of thermal energy requirement is from the Absorber and Stripper columns. This suggests that process optimization should focus on the Absorption/Desorption process. Optimization results show that the gas-liquid reaction equilibrium is affected by several operating parameters including solvent flow rate, stream temperature, column operating pressure, flue gas composition, solvent concentration and absorber design. With optimized CO2 capture, the energy consumption for solvent regeneration (reboiler thermal duty) was decreased from 5.76 GJ/ton captured CO2 to 4.56 GJ/t CO2. On the other hand, the cost of CO2 capture (and sequestration) could be reduced by limiting size of the Absorber column and operating pressure.

  10. Two-Dimensional Electronic Spectroscopy of Chlorophyll a: Solvent Dependent Spectral Evolution.

    PubMed

    Moca, Roberta; Meech, Stephen R; Heisler, Ismael A

    2015-07-09

    The interaction of the monomeric chlorophyll Q-band electronic transition with solvents of differing physical-chemical properties is investigated through two-dimensional electronic spectroscopy (2DES). Chlorophyll constitutes the key chromophore molecule in light harvesting complexes. It is well-known that the surrounding protein in the light harvesting complex fine-tunes chlorophyll electronic transitions to optimize energy transfer. Therefore, an understanding of the influence of the environment on the monomeric chlorophyll electronic transitions is important. The Q-band 2DES is inhomogeneous at early times, particularly in hydrogen bonding polar solvents, but also in nonpolar solvents like cyclohexane. Interestingly this inhomogeneity persists for long times, even up to the nanosecond time scale in some solvents. The reshaping of the 2DES occurs over multiple time scales and was assigned mainly to spectral diffusion. At early times the reshaping is Gaussian-like, hinting at a strong solvent reorganization effect. The temporal evolution of the 2DES response was analyzed in terms of a Brownian oscillator model. The spectral densities underpinning the Brownian oscillator fitting were recovered for the different solvents. The absorption spectra and Stokes shift were also properly described by this model. The extent and nature of inhomogeneous broadening was a strong function of solvent, being larger in H-bonding and viscous media and smaller in nonpolar solvents. The fastest spectral reshaping components were assigned to solvent dynamics, modified by interactions with the solute.

  11. An effective vacuum assisted extraction method for the optimization of labdane diterpenoids from Andrographis paniculata by response surface methodology.

    PubMed

    Wang, Ya-Qi; Wu, Zhen-Feng; Ke, Gang; Yang, Ming

    2014-12-31

    An effective vacuum assisted extraction (VAE) technique was proposed for the first time and applied to extract bioactive components from Andrographis paniculata. The process was carefully optimized by response surface methodology (RSM). Under the optimized experimental conditions, the best results were obtained using a boiling temperature of 65 °C, 50% ethanol concentration, 16 min of extraction time, one extraction cycles and a 12:1 liquid-solid ratio. Compared with conventional ultrasonic assisted extraction and heat reflux extraction, the VAE technique gave shorter extraction times and remarkable higher extraction efficiency, which indicated that a certain degree of vacuum gave the solvent a better penetration of the solvent into the pores and between the matrix particles, and enhanced the process of mass transfer. The present results demonstrated that VAE is an efficient, simple and fast method for extracting bioactive components from A. paniculata, which shows great potential for becoming an alternative technique for industrial scale-up applications.

  12. Solvent refining of Kuwaiti heavy diesel oil

    SciTech Connect

    Ijam, M.J.; Fahim, M.A.; Abu-Elgheit, M.

    1981-08-01

    Results of studies to determine the optimum operating conditions for the solvent refining of Kuwaiti heavy diesel oil (HDO) to find the most suitable solvent for the production of lube oil base stocks from HDO are reported. The solvents studied were furfural, ..beta..-methoxypropionitrile (..beta..-MPN) and N-methylpyrrolidone (NMP). NMP was found to have the highest capacity as a solvent. (BLM)

  13. Milestone Report #2: Direct Evaporator Leak and Flammability Analysis Modifications and Optimization of the Organic Rankine Cycle to Improve the Recovery of Waste Heat

    SciTech Connect

    Guillen, Donna Post

    2013-09-01

    The direct evaporator is a simplified heat exchange system for an Organic Rankine Cycle (ORC) that generates electricity from a gas turbine exhaust stream. Typically, the heat of the exhaust stream is transferred indirectly to the ORC by means of an intermediate thermal oil loop. In this project, the goal is to design a direct evaporator where the working fluid is evaporated in the exhaust gas heat exchanger. By eliminating one of the heat exchangers and the intermediate oil loop, the overall ORC system cost can be reduced by approximately 15%. However, placing a heat exchanger operating with a flammable hydrocarbon working fluid directly in the hot exhaust gas stream presents potential safety risks. The purpose of the analyses presented in this report is to assess the flammability of the selected working fluid in the hot exhaust gas stream stemming from a potential leak in the evaporator. Ignition delay time for cyclopentane at temperatures and pressure corresponding to direct evaporator operation was obtained for several equivalence ratios. Results of a computational fluid dynamic analysis of a pinhole leak scenario are given.

  14. Toothpaste-like Electrode: A Novel Approach to Optimize the Interface for Solid-State Sodium-Ion Batteries with Ultralong Cycle Life.

    PubMed

    Liu, Lilu; Qi, Xingguo; Ma, Qiang; Rong, Xiaohui; Hu, Yong-Sheng; Zhou, Zhibin; Li, Hong; Huang, Xuejie; Chen, Liquan

    2016-12-07

    A non-sintered method with toothpaste electrode for improving electrode ionic conductivity and reducing interface impedance is introduced in solid-state rechargeable batteries. At 70 °C, this novel solid-state battery can deliver a capacity of 80 mAh g(-1) in a voltage range of 2.5-3.8 V at 0.1C rate using layered oxide Na0.66Ni0.33Mn0.67O2, Na-β″-Al2O3 and sodium metal as cathode, electrolyte and anode, respectively. Moreover, the battery shows a superior stability and high reversibility, with a capacity retention of 90% after 10 000 cycles at 6C rate and a capacity of 79 mAh g(-1) is recovered when the current rate is returned to 0.1C. Furthermore, a very thick electrode with active material mass loading of 6 mg cm(-2) also presents a reasonable electrochemical performance. These results demonstrate that this is a promising approach to solve the interface problem and would open a new route in designing the next generation solid-state battery.

  15. Solvent diffusion outside macromolecular surfaces

    NASA Astrophysics Data System (ADS)

    Lindahl, Erik; Edholm, Olle

    1998-01-01

    The effect of the inhomogeneous environment upon solvent molecules close to a macromolecular surface is evaluated from a molecular-dynamics simulation of a protein, myoglobin, in water solution. The simulation is analyzed in terms of a mean-field potential from the protein upon the water molecules and spatially varying translational diffusion coefficients for solvent molecules in directions parallel and perpendicular to the protein surface. The diffusion coefficients can be obtained from the slope of the average-square displacements vs time, as well as from the integral of the velocity autocorrelation functions. It is shown that the former procedure gives a lot of ambiguities due to the variation of the slope of the curve with time. The latter, however, after analytic correction for the contribution from algebraic long-time tails, furnish a much more reliable alternative.

  16. Cleanup of Savannah River Plant solvent using solid sorbents

    SciTech Connect

    Mailen, J.C.; Tallent, O.K.

    1985-04-01

    The degradation products produced in Purex solvent by exposure to nitric acid and radiation can be divided into two groups: those which are removed by scrubbing with sodium carbonate solutions and those which are not; these latter materials are called secondary degradation products. This study investigated the use of solid sorbents for removal of the secondary degradation products from first-cycle Savannah River Plant solvent that had been previously washed with sodium carbonate solution. Silica gel, activated charcoal, macroreticular resin, attapulgite clay and activated alumina were the sorbents investigated in preliminary testing. Activated alumina was found to be most effective for improving phase separation of the solvent from sodium carbonate solutions and for increasing the interfacial tension. The activated alumina was also the sorbent most useful for removing complexants which retain plutonium at low acidity, but it was less effective in removing anionic surfactants and ruthenium. We found that the capacity of the activated alumina was greatly improved by drying the solvent before treatment.

  17. Optimization of pressurized liquid extraction of Piper gaudichaudianum Kunth leaves.

    PubMed

    Péres, Valéria Flores; Saffi, Jenifer; Melecchi, Maria Inês S; Abad, Fernanda C; Martinez, Migdalia M; Oliveira, Eniz Conceição; Jacques, Rosângela Assis; Caramão, Elina B

    2006-02-10

    Piperaceae family is original from tropical regions and it shows more than 700 species around the world. Piper gaudichaudianum Kunth is the specie more abundant in Brazil, occurring from Northeast to South Brazil. In this paper, it was investigated the influence of some experimental parameters on the pressurized liquid extraction (PLE) of P. gaudichaudianum Kunth leaves, using petroleum ether as extractor solvent. The optimization of the main variables involved in the PLE process (extraction temperature and time) has been done by response surface methodology (RSM) using, as responses, the extraction yield and the chromatographic profile (GC/MS) of the extracts. The optimized procedure employed 3 g of ground leaves, 10 min of extraction and one cycle of extraction at 85 degrees C. The major compounds present in the petroleum ether extracts were: palmitic acid, stearic acid and nerolidol. The results presented in this work show the possibility of using a fast and easy process to recover compounds from P. gaudichaudianum Kunth.

  18. Simultaneous extraction of flavonoids from Chamaecyparis obtusa using deep eutectic solvents as additives of conventional extractions solvents.

    PubMed

    Tang, Baokun; Park, Ha Eun; Row, Kyung Ho

    2015-01-01

    Three flavones (quercetin, myricetin and amentoflavone) were extracted from Chamaecyparis obtusa leaves using deep eutectic solvents (DESs) as additives to conventional extractions solvents. Sixteen DESs were synthesized from different salts and hydrogen bond donors. In addition, C. obtusa was extracted under optimal conditions of methanol as the solvent in the heating process (60°C) for 120 min at a solid/liquid ratio of 80%. Under these optimal conditions, a good linear relationship was observed at analyte concentrations ranging from 5.0 to 200.0 μg/mL (R(2) > 0.999). The extraction recovery ranged from 96.7 to 103.3% with the inter- and intraday relative standard deviations of <4.97%. Under the optimal conditions, from C. obtusa, the quantities of quercetin, myricetin and amentoflavone extracted were 325.90, 8.66 and 50.34 µg/mL, respectively. Overall, DESs are expected to have a wide range of applications. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  19. How solvent selection affects extraction performance

    SciTech Connect

    Sprague, S.B.

    1986-01-01

    Many solvents can be used in petroleum-refining solvent extraction processes to make products ranging from lube oil blending stocks to incremental FCCU feed. This paper describes how the deasphalted oil (DAO) quality changes with DAO yield and extraction solvent.

  20. Solvent Extraction of Furfural From Biomass

    NASA Technical Reports Server (NTRS)

    Humphrey, M. F.

    1984-01-01

    Solvent-extraction method reduces energy required to remove furfural produced during acid hydrolysis of biomass. Acid hydrolysis performed in vessel containing both solvents and reacting ingredients. With intimate contact between solvents and aqueous hydrolyis liqour, furfural removed form liquor almost as fast as it forms.

  1. Firing of pulverized solvent refined coal

    DOEpatents

    Derbidge, T. Craig; Mulholland, James A.; Foster, Edward P.

    1986-01-01

    An air-purged burner for the firing of pulverized solvent refined coal is constructed and operated such that the solvent refined coal can be fired without the coking thereof on the burner components. The air-purged burner is designed for the firing of pulverized solvent refined coal in a tangentially fired boiler.

  2. The solvent component of macromolecular crystals

    SciTech Connect

    Weichenberger, Christian X.; Kantardjieff, Katherine; Rupp, Bernhard

    2015-04-30

    On average, the mother liquor or solvent and its constituents occupy about 50% of a macromolecular crystal. Ordered as well as disordered solvent components need to be accurately accounted for in modelling and refinement, often with considerable complexity. The mother liquor from which a biomolecular crystal is grown will contain water, buffer molecules, native ligands and cofactors, crystallization precipitants and additives, various metal ions, and often small-molecule ligands or inhibitors. On average, about half the volume of a biomolecular crystal consists of this mother liquor, whose components form the disordered bulk solvent. Its scattering contributions can be exploited in initial phasing and must be included in crystal structure refinement as a bulk-solvent model. Concomitantly, distinct electron density originating from ordered solvent components must be correctly identified and represented as part of the atomic crystal structure model. Herein, are reviewed (i) probabilistic bulk-solvent content estimates, (ii) the use of bulk-solvent density modification in phase improvement, (iii) bulk-solvent models and refinement of bulk-solvent contributions and (iv) modelling and validation of ordered solvent constituents. A brief summary is provided of current tools for bulk-solvent analysis and refinement, as well as of modelling, refinement and analysis of ordered solvent components, including small-molecule ligands.

  3. Comparison of ultrasound-enhanced air-assisted liquid-liquid microextraction and low-density solvent-based dispersive liquid-liquid microextraction methods for determination of nonsteroidal anti-inflammatory drugs in human urine samples.

    PubMed

    Barfi, Behruz; Asghari, Alireza; Rajabi, Maryam; Goochani Moghadam, Ahmad; Mirkhani, Nasim; Ahmadi, Farhad

    2015-01-01

    Two dispersive-based liquid-liquid microextraction methods including ultrasound-enhanced air-assisted liquid-liquid microextraction (USE-AALLME) and low-density solvent-based dispersive liquid-liquid microextraction (LDS-DLLME) were compared for the extraction of salicylic acid (the hydrolysis product of acetylsalicylic acid), diclofenac and ibuprofen, as instances of the most commonly used nonsteroidal anti-inflammatory drugs (NSAIDs), in human urine prior to their determination by gas chromatography with flame ionization detection (GC-FID). The influence of different parameters affecting the USE-AALLME (including type and volume of the extraction solvent, sample pH, ionic strength, and simultaneous sonication and number of extraction cycles) and the LDS-DLLME (including type and volume of the extraction and disperser solvents, sample pH, and ionic strength) were investigated to optimize their extraction efficiencies. Both methods are fast, simple and convenient with organic solvent consumption at μL level. However, the best results were obtained using the USE-AALLME method, applying 30 μL of 1-octanol as extraction solvent, 5.0 mL of sample at pH 3.0, without salt addition, and 5 extraction cycles during 20s of sonication. This method was validated based on linearities (r(2) >0 .971), limits of detection (0.1-1.0 μg L(-1)), linear dynamic ranges (0.4-1000.0 μg L(-1)), enrichment factors (115 ± 3-135 ± 3), consumptive indices (0.043-0.037), inter- and intra-day precisions (4.3-4.8 and 5.6-6.1, respectively), and relative recoveries (94-103%). The USE-AALLME in combination with GC-FID, and with no need to derivatization step, was demonstrated to be a simple, inexpensive, sensitive and efficient method to determine NSAIDs in human urine samples.

  4. Versatile Production of Poly(Epsilon-Caprolactone) Fibers by Electrospinning Using Benign Solvents.

    PubMed

    Liverani, Liliana; Boccaccini, Aldo R

    2016-04-15

    The electrospinning technique is widely used for the fabrication of micro- and nanofibrous structures. Recent studies have focused on the use of less toxic and harmful solvents (benign solvents) for electrospinning, even if those solvents usually require an accurate and longer process of optimization. The aim of the present work is to demonstrate the versatility of the use of benign solvents, like acetic acid and formic acid, for the fabrication of microfibrous and nanofibrous electrospun poly(epsilon-caprolactone) mats. The solvent systems were also shown to be suitable for the fabrication of electrospun structures with macroporosity, as well as for the fabrication of composite electrospun mats, fabricated by the addition of bioactive glass (45S5 composition) particles in the polymeric solution.

  5. Versatile Production of Poly(Epsilon-Caprolactone) Fibers by Electrospinning Using Benign Solvents

    PubMed Central

    Liverani, Liliana; Boccaccini, Aldo R.

    2016-01-01

    The electrospinning technique is widely used for the fabrication of micro- and nanofibrous structures. Recent studies have focused on the use of less toxic and harmful solvents (benign solvents) for electrospinning, even if those solvents usually require an accurate and longer process of optimization. The aim of the present work is to demonstrate the versatility of the use of benign solvents, like acetic acid and formic acid, for the fabrication of microfibrous and nanofibrous electrospun poly(epsilon-caprolactone) mats. The solvent systems were also shown to be suitable for the fabrication of electrospun structures with macroporosity, as well as for the fabrication of composite electrospun mats, fabricated by the addition of bioactive glass (45S5 composition) particles in the polymeric solution. PMID:28335202

  6. Simultaneous chemical fingerprint and quantitative analysis of Rhizoma Smilacis Glabrae by accelerated solvent extraction and high-performance liquid chromatography with tandem mass spectrometry.

    PubMed

    Dai, Weiquan; Zhao, Weiquan; Gao, Fangyuan; Shen, Jingjing; Lv, Diya; Qi, Yunpeng; Fan, Guorong

    2015-05-01

    Rhizoma Smilacis Glabrae (RSG) is a well-known herbal medicine with the homology of medicine and food. In this study, simultaneous chemical fingerprint and quantitative analysis of the bioactive flavonoid components of RSG were developed using accelerated solvent extraction and high-performance liquid chromatography coupled with ion trap tandem mass spectrometry. The operational parameters of accelerated solvent extraction including extraction solvent, extraction temperature, static extraction time, solid-to-liquid ratio, and extraction cycles were optimized. Hierarchical cluster analysis, similarity analysis, and principal component analysis were performed to evaluate the similarity and variation of the samples collected from several provinces in China. Subsequently, high-performance liquid chromatography fingerprints were established for the discrimination of 16 batches of RSG samples, and the major six flavonoids, namely, toxifolin, neoastilbin, astilbin, neoisoastilbin, isoastilbin, and engeletin were then quantitatively determined. The calibration curves for all the six analytes showed good linearity (r(2) > 0.999), and the limits of detection and quantification were less than 0.10 and 0.27 μg·mL(-1) , respectively. Therefore, the proposed extraction and determination methods were proved to be robust and reliable for the quality control of RSG.

  7. Global water cycle

    NASA Technical Reports Server (NTRS)

    Robertson, Franklin R.; Christy, John R.; Goodman, Steven J.; Miller, Tim L.; Fitzjarrald, Dan; Lapenta, Bill; Wang, Shouping

    1991-01-01

    The primary objective is to determine the scope and interactions of the global water cycle with all components of the Earth system and to understand how it stimulates and regulates changes on both global and regional scales. The following subject areas are covered: (1) water vapor variability; (2) multi-phase water analysis; (3) diabatic heating; (4) MSU (Microwave Sounding Unit) temperature analysis; (5) Optimal precipitation and streamflow analysis; (6) CCM (Community Climate Model) hydrological cycle; (7) CCM1 climate sensitivity to lower boundary forcing; and (8) mesoscale modeling of atmosphere/surface interaction.

  8. Global water cycle

    NASA Technical Reports Server (NTRS)

    Robertson, Franklin; Goodman, Steven J.; Christy, John R.; Fitzjarrald, Daniel E.; Chou, Shi-Hung; Crosson, William; Wang, Shouping; Ramirez, Jorge

    1993-01-01

    This research is the MSFC component of a joint MSFC/Pennsylvania State University Eos Interdisciplinary Investigation on the global water cycle extension across the earth sciences. The primary long-term objective of this investigation is to determine the scope and interactions of the global water cycle with all components of the Earth system and to understand how it stimulates and regulates change on both global and regional scales. Significant accomplishments in the past year are presented and include the following: (1) water vapor variability; (2) multi-phase water analysis; (3) global modeling; and (4) optimal precipitation and stream flow analysis and hydrologic processes.

  9. Solvent cleaning system and method for removing contaminants from solvent used in resin recycling

    DOEpatents

    Bohnert, George W [Harrisonville, MO; Hand, Thomas E [Lee's Summit, MO; DeLaurentiis, Gary M [Jamestown, CA

    2009-01-06

    A two step solvent and carbon dioxide based system that produces essentially contaminant-free synthetic resin material and which further includes a solvent cleaning system for periodically removing the contaminants from the solvent so that the solvent can be reused and the contaminants can be collected and safely discarded in an environmentally safe manner.

  10. Solute-solvent and solvent-solvent interactions in the preferential solvation of 4-[4-(dimethylamino)styryl]-1-methylpyridinium iodide in 24 binary solvent mixtures.

    PubMed

    Bevilaqua, Tharly; Gonçalves, Thaini F; Venturini, Cristina de G; Machado, Vanderlei G

    2006-11-01

    The molar transition energy (E(T)) polarity values for the dye 4-[4-(dimethylamino)styryl]-1-methylpyridinium iodide were collected in binary mixtures comprising a hydrogen-bond accepting (HBA) solvent (acetone, acetonitrile, dimethyl sulfoxide (DMSO), and N,N-dimethylformamide (DMF)) and a hydrogen-bond donating (HBD) solvent (water, methanol, ethanol, propan-2-ol, and butan-1-ol). Data referring to mixtures of water with alcohols were also analyzed. These data were used in the study of the preferential solvation of the probe, in terms of both solute-solvent and solvent-solvent interactions. These latter interactions are of importance in explaining the synergistic behavior observed for many mixed solvent systems. All data were successfully fitted to a model based on solvent-exchange equilibria. The E(T) values of the dye dissolved in the solvents show that the position of the solvatochromic absorption band of the dye is dependent on the medium polarity. The solvation of the dye in HBA solvents occurs with a very important contribution from ion-dipole interactions. In HBD solvents, the hydrogen bonding between the dimethylamino group in the dye and the OH group in the solvent plays an important role in the solvation of the dye. The interaction of the hydroxylic solvent with the other component in the mixture can lead to the formation of hydrogen-bonded complexes, which solvate the dye using a lower polar moiety, i.e. alkyl groups in the solvents. The dye has a hydrophobic nature and a dimethylamino group with a minor capability for hydrogen bonding with the medium in comparison with the phenolate group present in Reichardt's pyridiniophenolate. Thus, the probe is able to detect solvent-solvent interactions, which are implicit to the observed synergistic behavior.

  11. Solute-solvent and solvent-solvent interactions in the preferential solvation of 4-[4-(dimethylamino)styryl]-1-methylpyridinium iodide in 24 binary solvent mixtures

    NASA Astrophysics Data System (ADS)

    Bevilaqua, Tharly; Gonçalves, Thaini F.; Venturini, Cristina de G.; Machado, Vanderlei G.

    2006-11-01

    The molar transition energy ( ET) polarity values for the dye 4-[4-(dimethylamino)styryl]-1-methylpyridinium iodide were collected in binary mixtures comprising a hydrogen-bond accepting (HBA) solvent (acetone, acetonitrile, dimethyl sulfoxide (DMSO), and N, N-dimethylformamide (DMF)) and a hydrogen-bond donating (HBD) solvent (water, methanol, ethanol, propan-2-ol, and butan-1-ol). Data referring to mixtures of water with alcohols were also analyzed. These data were used in the study of the preferential solvation of the probe, in terms of both solute-solvent and solvent-solvent interactions. These latter interactions are of importance in explaining the synergistic behavior observed for many mixed solvent systems. All data were successfully fitted to a model based on solvent-exchange equilibria. The ET values of the dye dissolved in the solvents show that the position of the solvatochromic absorption band of the dye is dependent on the medium polarity. The solvation of the dye in HBA solvents occurs with a very important contribution from ion-dipole interactions. In HBD solvents, the hydrogen bonding between the dimethylamino group in the dye and the OH group in the solvent plays an important role in the solvation of the dye. The interaction of the hydroxylic solvent with the other component in the mixture can lead to the formation of hydrogen-bonded complexes, which solvate the dye using a lower polar moiety, i.e. alkyl groups in the solvents. The dye has a hydrophobic nature and a dimethylamino group with a minor capability for hydrogen bonding with the medium in comparison with the phenolate group present in Reichardt's pyridiniophenolate. Thus, the probe is able to detect solvent-solvent interactions, which are implicit to the observed synergistic behavior.

  12. Batch extracting process using magneticparticle held solvents

    DOEpatents

    Nunez, Luis; Vandergrift, George F.

    1995-01-01

    A process for selectively removing metal values which may include catalytic values from a mixture containing same, wherein a magnetic particle is contacted with a liquid solvent which selectively dissolves the metal values to absorb the liquid solvent onto the magnetic particle. Thereafter the solvent-containing magnetic particles are contacted with a mixture containing the heavy metal values to transfer metal values into the solvent carried by the magnetic particles, and then magnetically separating the magnetic particles. Ion exchange resins may be used for selective solvents.

  13. Effect of pH on desorption of CO2 from alkanolamine - rich solvents

    NASA Astrophysics Data System (ADS)

    Du, Min

    2017-08-01

    Adipic acid was used as a pH regulator, which was added to 0.4 mol/L MEA, DEA and MDEA solvents during CO2 desorption process. It is found that when pH value of the solvents swing between 8-10, CO2 desorption rate enhanced, and energy consumption has declined obviously. This research may have reference significance on optimization of alkanolamine CO2 capture process.

  14. Enhanced production and organic solvent stability of a protease from Brevibacillus laterosporus strain PAP04.

    PubMed

    Anbu, P

    2016-01-01

    A bacterial strain (PAP04) isolated from cattle farm soil was shown to produce an extracellular, solvent-stable protease. Sequence analysis using 16S rRNA showed that this strain was highly homologous (99%) to Brevibacillus laterosporus. Growth conditions that optimize protease production in this strain were determined as maltose (carbon source), skim milk (nitrogen source), pH 7.0, 40°C temperature, and 48 h incubation. Overall, conditions were optimized to yield a 5.91-fold higher production of protease compared to standard conditions. Furthermore, the stability of the enzyme in organic solvents was assessed by incubation for 2 weeks in solutions containing 50% concentration of various organic solvents. The enzyme retained activity in all tested solvents except ethanol; however, the protease activity was stimulated in benzene (74%) followed by acetone (63%) and chloroform (54.8%). In addition, the plate assay and zymography results also confirmed the stability of the PAP04 protease in various organic solvents. The organic solvent stability of this protease at high (50%) concentrations of solvents makes it an alternative catalyst for peptide synthesis in non-aqueous media.

  15. Enhanced production and organic solvent stability of a protease fromBrevibacillus laterosporus strain PAP04

    PubMed Central

    Anbu, P.

    2016-01-01

    A bacterial strain (PAP04) isolated from cattle farm soil was shown to produce an extracellular, solvent-stable protease. Sequence analysis using 16S rRNA showed that this strain was highly homologous (99%) to Brevibacillus laterosporus. Growth conditions that optimize protease production in this strain were determined as maltose (carbon source), skim milk (nitrogen source), pH 7.0, 40°C temperature, and 48 h incubation. Overall, conditions were optimized to yield a 5.91-fold higher production of protease compared to standard conditions. Furthermore, the stability of the enzyme in organic solvents was assessed by incubation for 2 weeks in solutions containing 50% concentration of various organic solvents. The enzyme retained activity in all tested solvents except ethanol; however, the protease activity was stimulated in benzene (74%) followed by acetone (63%) and chloroform (54.8%). In addition, the plate assay and zymography results also confirmed the stability of the PAP04 protease in various organic solvents. The organic solvent stability of this protease at high (50%) concentrations of solvents makes it an alternative catalyst for peptide synthesis in non-aqueous media. PMID:27007657

  16. Evaluation of Co-solvents with supercritical fluid extraction of atrazine from soil.

    PubMed

    Senseman, S A; Ketchersid, M L

    2000-04-01

    Supercritical fluid extraction (SFE) with CO(2) has been successfully applied to herbicide extractions from soil. The objectives of this work were to compare extraction efficiency of atrazine from soil using different types and quantities of co-solvent modifiers under a specified set of SFE instrument conditions and to determine the ruggedness of an optimized extraction program and co-solvent on several soils with varying characteristics. The effect of 18 co-solvents on atrazine extraction from Lufkin fine sandy loam was determined using a completely randomized design with six replications. Extractions of Lufkin soil using the more nonpolar co-solvents had recovery similar to extractions where no co-solvent was added. The co-solvents that showed high extraction efficiency, low incidences of restrictor plugging, and ease of cleaning extraction cells were acetone, acetone:water mixtures (with and without 1% triethylamine), and acetonitrile. The addition of 1% triethylamine (TEA) did not increase recovery significantly. The 9:1 acetone:water mixture with 1% TEA was used for the soil comparison because of the high atrazine recovery and low water content. No differences in atrazine recovery were detected between extractions of the four representative soils when the same extraction conditions were employed. No cleanup steps were included in the procedure, yet adequate chromatography results were obtained suggesting some selectivity for this procedure. These data indicate that SFE with optimized conditions and appropriate co-solvents is a relatively robust method that can effectively be used in soil extractions of atrazine.

  17. Structure and dynamics of solvent shells around photoexcited metal complexes.

    PubMed

    Szymczak, Jaroslaw J; Hofmann, Franziska D; Meuwly, Markus

    2013-05-07

    Understanding the geometry, energetics and dynamics of solvated transition metal (TM) compounds is decisive in characterizing and optimizing their function. Here, we demonstrate that it is possible to quantify the structural dynamics of solvated [Ru(II)(bpy)3], an important TM-complex for solar-energy harvesting research, by using state-of-the art force fields together with molecular simulations. Electronic excitation to [Ru(III)(bpy)3] leads to a nonequilibrium system in which excess energy is redistributed to the surrounding solvent following a cascade of dynamical effects that can be characterized by the simulations. The study reveals that the structure of the surrounding solvent relaxes towards the equilibrium on a sub-picosecond to a few-picosecond time scale. Analysis of solvent residence and rotational reorientation times during relaxation demonstrates increased dynamics in the inner solvation sphere on the picosecond time scale. Energy transfer to the solvent occurs on different time scales for the different degrees of freedom which range from a few hundred fs to several picoseconds.

  18. Effect of solvents on the enzyme mediated degradation of copolymers

    NASA Astrophysics Data System (ADS)

    Banerjee, Aditi; Chatterjee, Kaushik; Madras, Giridhar

    2015-09-01

    The biodegradation of polycaprolactone (PCL), polylactic acid (PLA), polyglycolide (PGA) and their copolymers, poly (lactide-co-glycolide) and poly (D, L-lactide-co-caprolactone) (PLCL) was investigated. The influence of different solvents on the degradation of these polymers at 37 °C in the presence of two different lipases namely Novozym 435 and the free lipase of porcine pancreas was investigated. The rate coefficients for the polymer degradation and enzyme deactivation were determined using continuous distribution kinetics. Among the homopolymers, the degradation of PGA was nearly an order of magnitude lower than that for PCL and PLA. The overall rate coefficients of the copolymers were higher than their respective homopolymers. Thus, PLCL degraded faster than either PCL or PLA. The degradation was highly dependent on the viscosity of the solvent used with the highest degradation observed in acetone. The degradation of the polymers in acetone was nearly twice that observed in dimethyl sulfoxide indicating that the degradation decreases with increase in the solvent viscosity. The degradation of the polymers in water-solvent mixtures indicated an optimal water content of 2.5 wt% of water.

  19. Antimicrobial activity of ultrasound-assisted solvent-extracted spices.

    PubMed

    Thongson, C; Davidson, P M; Mahakarnchanakul, W; Weiss, J

    2004-01-01

    The objective of this research was to determine the antimicrobial activity of conventional and high-intensity ultrasound-assisted (HI-US) solvent-extracted Thai spices, including ginger (Zingiber officinale Rose), fingerroot (Bosenbergia pandurata Holtt) and turmeric (Curouma longa Linn). Extracts were obtained using hexane, isopropanol and a 7 : 3 isopropanol : hexane mixture as solvents with and without HI-US. The antimicrobial activity of the extracts was assayed against four strains each of Listeria monocytogenes and Salmonella Typhimurium DT 104 using an agar dilution assay. Application of HI-US did not alter antibacterial activity against S. Typhimurium, but antilisterial activity of some HI-US spice extracts decreased. Solvent type affected antimicrobial efficacy of extracts with hexane producing the least antimicrobial activity. Fingerroot extracted with isopropanol-hexane and without HI-US had the best antilisterial effect while HI-US-isopropanol fingerroot extract had the greatest antimicrobial efficacy against S. Typhimurium. Application of HI-US reduced time of extraction to 5 min, compared with the 24 h required for conventional extraction and maintained antimicrobial activity against Salmonella but slightly reduced activity against Listeria. HI-US in combination with proper solvent selection may offer a new tool to optimize extraction of spice essential oil for use as antimicrobial agents, and reduce processing time and costs.

  20. Summary of ALSEP Test Loop Solvent Irradiation Testing

    SciTech Connect

    Peterman, Dean Richard; Olson, Lonnie Gene

    2016-08-01

    Separating the minor actinide elements (americium and curium) from the fission product lanthanides is an important step in closing the nuclear fuel cycle. Isolating the minor actinides will allow transmuting them to short lived or stable isotopes in fast reactors, thereby reducing the long-term hazard associated with these elements. The Actinide Lanthanide Separation Process (ALSEP) is being developed by the DOE-NE Material Recovery and Waste Form Development Campaign to accomplish this separation with a single process. To develop a fundamental understanding of the solvent degradation mechanisms for the ALSEP Process, testing was performed in the INL Radiolysis/Hydrolysis Test Loop for the extraction section of the ALSEP flowsheet. This work culminated in the completion of the level two milestone (M2FT-16IN030102021) "Complete ALSEP test loop solvent irradiation test.” This report summarizes the testing performed and the impact of radiation on the ALSEP Process performance as a function of dose.

  1. Cycle Analysis

    SciTech Connect

    Wright, Steven A.

    2012-03-20

    1. The Cycle Analysis code is an Microsoft Excel code that performs many different types of thermodynamic cycle analysis for power producing systems. The code will calculate the temperature and pressure and all other thermodynamic properties at the inlet and outlet of each component. The code also calculates the power that is produced, the efficiency, and the heat transported in the heater, gas chiller and recuperators. The code provides a schematic of the loop and provides the temperature and pressure at each location in the loop. The code also provides a T-S (temperature-entropy) diagram of the loop and often it provides an pressure enthalpy plot as well. 2. This version of the code concentrates on supercritical CO2 power cycles, but by simply changing the name of the working fluid many other types of fluids can be analyzed. The Cycle Analysis code provided here contains 18 different types of power cycles. Each cycle is contained in one worksheet or tab that the user can select. The user can change the yellow highlighted regions to perform different thermodynamic cycle analysis.

  2. Effect of operating parameters on mechanical expression of solvent-soaked soybean-grits.

    PubMed

    Sinha, Lalan Kumar; Haldar, Swarrna; Majumdar, Gautam Chandra

    2015-05-01

    Oil from soybean is obtained mostly by solvent extraction of soybean flakes. Legislation banning the use of hexane as solvent for extracting edible vegetable oil has forced a search for an alternative solvent and for developing a suitable oil recovery process. Expellers are being used for obtaining vegetable oil by mechanical means (expression) from oil seeds having oil content higher than 20 %. It was felt, in view of the stiffness of the soybean matrix, a combination of solvent treatment and expression could be a cheaper alternative; thus an attempt has been made here to develop a two stage process constituting soaking of soybean grits in solvent followed by mechanical compression (hydraulic press) of solvent-soaked grits to recover oil. The present work aimed at studying the effect of various process parameters on oil yield from solvent soaked soybean-grits during soaking as well as pressing stages using the solvents: hexane, ethanol (alternative solvent). The process parameters were identified through holistic approach. The dependant variable was oil recovery (expressed as fraction of initial oil content of soybean) whereas the independent parameters were particle size, solvent-bean mass ratio, soaking time, soaking temperature, applied pressure and pressing time. The effect of each of the above parameters on fractional oil recovery (FOR) was studied. The results of the present study indicate that the above parameters have a significant effect on the fractional oil recovery with particle size, soaking temperature, soaking time and pressing time being the most significant factors. The present study also indicates that ethanol can be used as an alternate solvent to hexane by optimizing the factors as discussed in this paper.

  3. Solvent Isotope-induced Equilibrium Perturbation for Isocitrate Lyase

    PubMed Central

    Quartararo, Christine E.; Hadi, Timin; Cahill, Sean M.; Blanchard, John S.

    2014-01-01

    Isocitrate lyase (ICL) catalyzes the reversible retro-aldol cleavage of isocitrate to generate glyoxylate and succinate. ICL is the first enzyme of the glyoxylate shunt, which allows for the anaplerosis of citric acid cycle intermediates under nutrient limiting conditions. In Mycobacterium tuberculosis, the source of ICL for these studies, ICL is vital for the persistence phase of the bacteria’s life cycle. Solvent kinetic isotope effects (KIEs) in the direction of isocitrate cleavage of D2OV = 2.0 ± 0.1 and D2O[V/Kisocitrate] = 2.2 ± 0.3 arise from the initial deprotonation of the C2 hydroxyl group of isocitrate or the protonation of the aci-acid of succinate product of the isocitrate aldol cleavage by a solvent-derived proton. This KIE suggested that an equilibrium mixture of all protiated isocitrate, glyoxylate and succinate prepared in D2O, would undergo transient changes in equilibrium concentrations as a result of the solvent KIE and solvent-derived deuterium incorporation into both succinate and isocitrate. No change in the isotopic composition of glyoxylate was expected or observed. We have directly monitored the changing concentrations of all isotopic species of all reactants and products using a combination of NMR spectroscopy and mass spectrometry. Continuous monitoring of glyoxylate by 1H NMR spectroscopy shows a clear equilibrium perturbation in D2O. The final equilibrium isotopic composition of reactants in D2O revealed di-deuterated succinate, protiated glyoxylate, and mono-deuterated isocitrate, with the transient appearance and disappearance of mono-deuterated succinate. A model for the equilibrium perturbation of substrate species, and their time-dependent isotopic composition is presented. PMID:24261638

  4. Extraction of polycyclic aromatic hydrocarbons from soot and sediment: solvent evaluation and implications for sorption mechanism.

    PubMed

    Jonker, Michiel T O; Koelmans, Albert A

    2002-10-01

    Soot contains high levels of toxic compounds such as polycyclic aromatic hydrocarbons (PAHs). Extraction of PAHs from soot for quantitative analysis is difficult because the compounds are extremely tightly bound to the sorbent matrix. This study was designed to investigate the effect of solvent type on PAH extraction yield, to identify the most optimal solvent for PAH extraction from soot, and to gain insight into the mechanism of PAH sorption to soot in aquatic environments. To that end, different types of soot as well as coal, charcoal, and sediments containing soot-like material were extracted with seven organic solvents. Large differences in extraction recoveries were observed among solvents, with relative values as low as 16% as compared to the best extracting solvent. These differences were much larger for soot than for sediments. Dichloromethane, which to date is the most widely used solvent for soot and sediment extractions, appeared to be the overall worst extractant, whereas toluene/methanol (1:6) gave the best results. Based on extraction yields and solvent properties, extraction of PAHs from soot was explained by a two-step mechanism involving swelling of the sorbent matrix and subsequent displacement of sorbates by solvent molecules. Due to the low displacement capacity of water, desorption of PAHs from soot in the aquatic environment will be strongly limited. Moreover, a certain fraction of the total PAH mass on soot is suggested to be physically entrapped, making it unavailable for partitioning to the aqueous phase.

  5. Steady state recycling chromatography with an integrated solvent removal unit - separation of glucose and galactose.

    PubMed

    Hellstén, Sanna; Siitonen, Jani; Mänttäri, Mika; Sainio, Tuomo

    2012-08-17

    A process concept where a solvent removal unit is integrated to a steady-state recycling chromatography process (SSR-SR) offers a possibility to significantly increase the performance of single column chromatographic separation. The advantages of solvent removal for a difficult separation task at conditions typical for industrial scale chromatography were demonstrated by investigating the performance of SSR-SR in separation of glucose and galactose. Two limits for the extent of solvent removal were imposed: maximum total concentration of the solution fed into the column (viscosity limit) and the maximum total concentration achievable in the solvent removal unit (solubility or osmotic pressure limit). The process was optimized using numerical simulation. Three SSR-SR configurations with different positions of the solvent removal unit were compared with (1) the conventional batch process, (2) SSR without solvent removal, and (3) batch process with solvent removal. SSR-SR was found to always improve the productivity. In addition, solvent removal reduced eluent consumption in most cases. The concentration limits and the concentration of the fresh feed were shown to determine which SSR-SR configuration yields the best performance.

  6. Solvent Annealing in Selective Solvents: A Novel Method to Tune the Morphology of Low Band Gap Polymer:Bis-Fullerene Heterojunctions

    NASA Astrophysics Data System (ADS)

    Dadmun, Mark; Chen, Huipeng; Hsiao, Yu-Che; Hu, Bin

    2014-03-01

    One of the most important challenges facing our society is the development of technologies for renewable energy conversion. Polymeric bulk-heterojunction (BHJ) photovoltaics, based on conjugated polymers and fullerenes, are an economically viable option for low cost renewable power generation. The most promising conjugated polymer:fullerene active layers in organic photovoltaics now utilize low band-gap (LBG) copolymers. Unfortunately, for most of these LBG devices, the as-cast film is not usually optimal, and there are few further treatment available after film deposition to optimize the morphology. To address this problem, we have exploited the selective solubility of the LBG:fullerene nanocomposite components to direct the assembly of these mixtures by annealing in the vapor of a selective solvent. Our recent work demonstrates that annealing in a solvent that is selective to the fullerene forms a sample with fullerene aggregation, while annealing in a solvent vapor that is selective to the polymer forms a thin film with polymer precipitation. There is also a direct correlation between the resultant morphology and OPV performance, increasing PCE by 190%. These results indicate that solvent annealing and solvent choice provides a unique tool to precisely tune the morphology of CP:Fullerene BHJ systems, optimizing the morphology and performance of the active layer.

  7. Solvent cavitation under solvophobic confinement

    NASA Astrophysics Data System (ADS)

    Ashbaugh, Henry S.

    2013-08-01

    The stability of liquids under solvophobic confinement can tip in favor of the vapor phase, nucleating a liquid-to-vapor phase transition that induces attractive forces between confining surfaces. In the case of water adjacent to hydrophobic surfaces, experimental and theoretical evidence support confinement-mediated evaporation stabilization of biomolecular and colloidal assemblies. The macroscopic thermodynamic theory of cavitation under confinement establishes the connection between the size of the confining surfaces, interfacial free energies, and bulk solvent pressure with the critical evaporation separation and interfacial forces. While molecular simulations have confirmed the broad theoretical trends, a quantitative comparison based on independent measurements of the interfacial free energies and liquid-vapor coexistence properties has, to the best of our knowledge, not yet been performed. To overcome the challenges of simulating a large number of systems to validate scaling predictions for a three-dimensional fluid, we simulate both the forces and liquid-vapor coexistence properties of a two-dimensional Lennard-Jones fluid confined between solvophobic plates over a range of plate sizes and reservoir pressures. Our simulations quantitatively agree with theoretical predictions for solvent-mediated forces and critical evaporation separations once the length dependence of the solvation free energy of an individual confining plate is taken into account. The effective solid-liquid line tension length dependence results from molecular scale correlations for solvating microscopic plates and asymptotically decays to the macroscopic value for plates longer than 150 solvent diameters. The success of the macroscopic thermodynamic theory at describing two-dimensional liquids suggests application to surfactant monolayers to experimentally confirm confinement-mediated cavitation.

  8. Advanced integrated solvent extraction systems

    SciTech Connect

    Horwitz, E.P.; Dietz, M.L.; Leonard, R.A.

    1997-10-01

    Advanced integrated solvent extraction systems are a series of novel solvent extraction (SX) processes that will remove and recover all of the major radioisotopes from acidic-dissolved sludge or other acidic high-level wastes. The major focus of this effort during the last 2 years has been the development of a combined cesium-strontium extraction/recovery process, the Combined CSEX-SREX Process. The Combined CSEX-SREX Process relies on a mixture of a strontium-selective macrocyclic polyether and a novel cesium-selective extractant based on dibenzo 18-crown-6. The process offers several potential advantages over possible alternatives in a chemical processing scheme for high-level waste treatment. First, if the process is applied as the first step in chemical pretreatment, the radiation level for all subsequent processing steps (e.g., transuranic extraction/recovery, or TRUEX) will be significantly reduced. Thus, less costly shielding would be required. The second advantage of the Combined CSEX-SREX Process is that the recovered Cs-Sr fraction is non-transuranic, and therefore will decay to low-level waste after only a few hundred years. Finally, combining individual processes into a single process will reduce the amount of equipment required to pretreat the waste and therefore reduce the size and cost of the waste processing facility. In an ongoing collaboration with Lockheed Martin Idaho Technology Company (LMITCO), the authors have successfully tested various segments of the Advanced Integrated Solvent Extraction Systems. Eichrom Industries, Inc. (Darien, IL) synthesizes and markets the Sr extractant and can supply the Cs extractant on a limited basis. Plans are under way to perform a test of the Combined CSEX-SREX Process with real waste at LMITCO in the near future.

  9. Accelerated, microwave-assisted, and conventional solvent extraction methods affect anthocyanin composition from colored grains.

    PubMed

    Abdel-Aal, El-Sayed M; Akhtar, Humayoun; Rabalski, Iwona; Bryan, Michael

    2014-02-01

    Anthocyanins are important dietary components with diverse positive functions in human health. This study investigates effects of accelerated solvent extraction (ASE) and microwave-assisted extraction (MAE) on anthocyanin composition and extraction efficiency from blue wheat, purple corn, and black rice in comparison with the commonly used solvent extraction (CSE). Factorial experimental design was employed to study effects of ASE and MAE variables, and anthocyanin extracts were analyzed by spectrophotometry, high-performance liquid chromatography-diode array detector (DAD), and liquid chromatography-mass spectrometry chromatography. The extraction efficiency of ASE and MAE was comparable with CSE at the optimal conditions. The greatest extraction by ASE was achieved at 50 °C, 2500 psi, 10 min using 5 cycles, and 100% flush. For MAE, a combination of 70 °C, 300 W, and 10 min in MAE was the most effective in extracting anthocyanins from blue wheat and purple corn compared with 50 °C, 1200 W, and 20 min for black rice. The anthocyanin composition of grain extracts was influenced by the extraction method. The ASE extraction method seems to be more appropriate in extracting anthocyanins from the colored grains as being comparable with the CSE method based on changes in anthocyanin composition. The method caused lower structural changes in anthocaynins compared with the MAE method. Changes in blue wheat anthocyanins were lower in comparison with purple corn or black rice perhaps due to the absence of acylated anthocyanin compounds in blue wheat. The results show significant differences in anthocyanins among the 3 extraction methods, which indicate a need to standardize a method for valid comparisons among studies and for quality assurance purposes.

  10. SOLVENT EXTRACTION PROCESS FOR PLUTONIUM

    DOEpatents

    Seaborg, G.T.

    1959-04-14

    The separation of plutonium from aqueous inorganic acid solutions by the use of a water immiscible organic extractant liquid is described. The plutonium must be in the oxidized state, and the solvents covered by the patent include nitromethane, nitroethane, nitropropane, and nitrobenzene. The use of a salting out agents such as ammonium nitrate in the case of an aqueous nitric acid solution is advantageous. After contacting the aqueous solution with the organic extractant, the resulting extract and raffinate phases are separated. The plutonium may be recovered by any suitable method.

  11. Menstrual Cycle

    MedlinePlus

    ... to the Professional version Home Women's Health Issues Biology of the Female Reproductive System Menstrual Cycle Follicular ... Version. DOCTORS: Click here for the Professional Version Biology of the Female Reproductive System Overview of the ...

  12. Comparisons of amine solvents for post-combustion CO{sub 2} capture: A multi-objective analysis approach

    SciTech Connect

    Lee, Anita S; Eslick, John C; Miller, David C; Kitchin, John R

    2013-10-01

    Amine solvents are of great interest for post-combustion CO{sub 2} capture applications. Although the development of new solvents is predominantly conducted at the laboratory scale, the ability to assess the performance of newly developed solvents at the process scale is crucial to identifying the best solvents for CO{sub 2} capture. In this work we present a methodology to evaluate and objectively compare the process performance of different solvents. We use Aspen Plus, with the electrolyte-NRTL thermodynamic model for the solvent CO{sub 2} interactions, coupled with a multi-objective genetic algorithm optimization to determine the best process design and operating conditions for each solvent. This ensures that the processes utilized for the comparison are those which are best suited for the specific solvent. We evaluate and compare the process performance of monoethanolamine (MEA), diethanolamine (DEA), and 2-amino-2-methyl-1-propanol (AMP) in a 90% CO{sub 2} capture process from a 550 MW coal fired power plant. From our analysis the best process specifications are amine specific and with those specific, optimized specifications DEA has the potential to be a better performing solvent than MEA, with a lower energy penalty and lower capital cost investment.

  13. Cycling injuries.

    PubMed Central

    Cohen, G. C.

    1993-01-01

    Bicycle-related injuries have increased as cycling has become more popular. Most injuries to recreational riders are associated with overuse or improper fit of the bicycle. Injuries to racers often result from high speeds, which predispose riders to muscle strains, collisions, and falls. Cyclists contact bicycles at the pedals, seat, and handlebars. Each is associated with particular cycling injuries. Images Figure 1 Figure 3 Figure 4 Figure 5 PMID:8471908

  14. Building Markov state models with solvent dynamics.

    PubMed

    Gu, Chen; Chang, Huang-Wei; Maibaum, Lutz; Pande, Vijay S; Carlsson, Gunnar E; Guibas, Leonidas J

    2013-01-01

    Markov state models have been widely used to study conformational changes of biological macromolecules. These models are built from short timescale simulations and then propagated to extract long timescale dynamics. However, the solvent information in molecular simulations are often ignored in current methods, because of the large number of solvent molecules in a system and the indistinguishability of solvent molecules upon their exchange. We present a solvent signature that compactly summarizes the solvent distribution in the high-dimensional data, and then define a distance metric between different configurations using this signature. We next incorporate the solvent information into the construction of Markov state models and present a fast geometric clustering algorithm which combines both the solute-based and solvent-based distances. We have tested our method on several different molecular dynamical systems, including alanine dipeptide, carbon nanotube, and benzene rings. With the new solvent-based signatures, we are able to identify different solvent distributions near the solute. Furthermore, when the solute has a concave shape, we can also capture the water number inside the solute structure. Finally we have compared the performances of different Markov state models. The experiment results show that our approach improves the existing methods both in the computational running time and the metastability. In this paper we have initiated an study to build Markov state models for molecular dynamical systems with solvent degrees of freedom. The methods we described should also be broadly applicable to a wide range of biomolecular simulation analyses.

  15. Building Markov state models with solvent dynamics

    PubMed Central

    2013-01-01

    Background Markov state models have been widely used to study conformational changes of biological macromolecules. These models are built from short timescale simulations and then propagated to extract long timescale dynamics. However, the solvent information in molecular simulations are often ignored in current methods, because of the large number of solvent molecules in a system and the indistinguishability of solvent molecules upon their exchange. Methods We present a solvent signature that compactly summarizes the solvent distribution in the high-dimensional data, and then define a distance metric between different configurations using this signature. We next incorporate the solvent information into the construction of Markov state models and present a fast geometric clustering algorithm which combines both the solute-based and solvent-based distances. Results We have tested our method on several different molecular dynamical systems, including alanine dipeptide, carbon nanotube, and benzene rings. With the new solvent-based signatures, we are able to identify different solvent distributions near the solute. Furthermore, when the solute has a concave shape, we can also capture the water number inside the solute structure. Finally we have compared the performances of different Markov state models. The experiment results show that our approach improves the existing methods both in the computational running time and the metastability. Conclusions In this paper we have initiated an study to build Markov state models for molecular dynamical systems with solvent degrees of freedom. The methods we described should also be broadly applicable to a wide range of biomolecular simulation analyses. PMID:23368418

  16. The solvent component of macromolecular crystals

    PubMed Central

    Weichenberger, Christian X.; Afonine, Pavel V.; Kantardjieff, Katherine; Rupp, Bernhard

    2015-01-01

    The mother liquor from which a biomolecular crystal is grown will contain water, buffer molecules, native ligands and cofactors, crystallization precipitants and additives, various metal ions, and often small-molecule ligands or inhibitors. On average, about half the volume of a biomolecular crystal consists of this mother liquor, whose components form the disordered bulk solvent. Its scattering contributions can be exploited in initial phasing and must be included in crystal structure refinement as a bulk-solvent model. Concomitantly, distinct electron density originating from ordered solvent components must be correctly identified and represented as part of the atomic crystal structure model. Herein, are reviewed (i) probabilistic bulk-solvent content estimates, (ii) the use of bulk-solvent density modification in phase improvement, (iii) bulk-solvent models and refinement of bulk-solvent contributions and (iv) modelling and validation of ordered solvent constituents. A brief summary is provided of current tools for bulk-solvent analysis and refinement, as well as of modelling, refinement and analysis of ordered solvent components, including small-molecule ligands. PMID:25945568

  17. Dynamics around solutes and solute-solvent complexes in mixed solvents.

    PubMed

    Kwak, Kyungwon; Park, Sungnam; Fayer, M D

    2007-09-04

    Ultrafast 2D-IR vibrational echo experiments, IR pump-probe experiments, and FT-IR spectroscopy of the hydroxyl stretch of phenol-OD in three solvents, CCl4, mesitylene (1, 3, 5 trimethylbenzene), and the mixed solvent of mesitylene and CCl4 (0.83 mole fraction CCl4), are used to study solute-solvent dynamics via observation of spectral diffusion. Phenol forms a complex with Mesitylene. In the mesitylene solution, there is only complexed phenol; in the CCl4 solution, there is only uncomplexed phenol; and in the mixed solvent, both phenol species are present. Dynamics of the free phenol in CCl4 or the mixed solvent are very similar, and dynamics of the complex in mesitylene and in the mixed solvent are very similar. However, there are differences in the slowest time scale dynamics between the pure solvents and the mixed solvents. The mixed solvent produces slower dynamics that are attributed to first solvent shell solvent composition variations. The composition variations require a longer time to randomize than is required in the pure solvents, where only density variations occur. The experimental results and recent MD simulations indicate that the solvent structure around the solute may be different from the mixed solvent's mole fraction.

  18. [Low-density solvent-based solvent demulsification dispersive liquid-liquid microextraction combined with gas chromatography for determination of polycyclic aromatic hydrocarbons in water samples].

    PubMed

    Zhu, Benqiong; Chen, Hao; Li, Shengqing

    2012-02-01

    A novel method of low-density solvent-based solvent demulsification dispersive liquid-liquid microextraction (SD-DLLME) was developed for the determination of eight polycyclic aromatic hydrocarbons (PAHs) in water samples by gas chromatography-flame ionization detection (GC-FID). Conventional DLLME methods usually employ organic solvents heavier than water as the extraction solvents and achieve the phase separation through centrifugation. On the contrary, in this proposed extraction procedure, a mixture of low-density extraction solvent (toluene) and dispersive solvent (acetone) was injected into the aqueous sample solution to form an emulsion. A demulsification solvent (acetonitrile) was then injected into the aqueous solution to break up the emulsion, which turned clear quickly and was separated into two layers. The upper layer (toluene) was collected and analyzed by GC. No centrifugation was required in this procedure. Factors affecting the extraction efficiency such as the type and volume of dispersive solvent, extraction solvent and de-emulsifier were investigated in detail. Under the optimized conditions, the proposed method provided a good linearity in the range of 20 - 500 microg/L (r2 = 0.994 2 - 0.999 9). The limits of detection (S/N = 3) were in the range of 0.52 - 5.11 microg/L. The relative standard deviations (RSDs) for the determination of 40 microg/L PAHs were in the range of 2.2% - 13.6% (n = 5). The proposed method is fast, efficient and convenient. It has been successfully applied to the determination of PAHs in natural water samples with the spiked recoveries of 80.2% - 115.1%.

  19. Li-Ion Cells Employing Electrolytes With Methyl Propionate and Ethyl Butyrate Co-Solvents

    NASA Technical Reports Server (NTRS)

    Smart, Marshall C.; Bugga, Ratnakumar V.

    2011-01-01

    Future NASA missions aimed at exploring Mars and the outer planets require rechargeable batteries that can operate at low temperatures to satisfy the requirements of such applications as landers, rovers, and penetrators. A number of terrestrial applications, such as hybrid electric vehicles (HEVs) and electric vehicles (EVs) also require energy storage devices that can operate over a wide temperature range (i.e., -40 to +70 C), while still providing high power capability and long life. Currently, the state-of-the-art lithium-ion system has been demonstrated to operate over a wide range of temperatures (-30 to +40 C); however, the rate capability at the lower temperatures is very poor. These limitations at very low temperatures are due to poor electrolyte conductivity, poor lithium intercalation kinetics over the electrode surface layers, and poor ionic diffusion in the electrode bulk. Two wide-operating-temperature-range electrolytes have been developed based on advances involving lithium hexafluorophosphate-based solutions in carbonate and carbonate + ester solvent blends, which have been further optimized in the context of the technology and targeted applications. The approaches employed include further optimization of electrolytes containing methyl propionate (MP) and ethyl butyrate (EB), which are effective co-solvents, to widen the operating temperature range beyond the baseline systems. Attention was focused on further optimizing ester-based electrolyte formulations that have exhibited the best performance at temperatures ranging from -60 to +60 C, with an emphasis upon improving the rate capability at -20 to -40 C. This was accomplished by increasing electrolyte salt concentration to 1.20M and increasing the ester content to 60 percent by volume to increase the ionic conductivity at low temperatures. Two JPL-developed electrolytes 1.20M LiPF6 in EC+EMC+MP (20:20:60 v/v %) and 1.20M LiPF6 in EC+EMC+EB (20:20:60 v/v %) operate effectively over a wide

  20. Asphaltene aggregation in organic solvents.

    PubMed

    Oh, Kyeongseok; Ring, Terry A; Deo, Milind D

    2004-03-01

    Asphaltenic solids formed in the Rangely field in the course of a carbon dioxide flood and heptane insolubles in the oil from the same field were used in this study. Four different solvents were used to dissolve the asphaltenes. Near-infrared (N