DOE Office of Scientific and Technical Information (OSTI.GOV)

Guo, Hua

Combustion represents a key chemical process in energy consumption in modern societies and a clear and comprehensive understanding of the elemental reactions in combustion is of great importance to a number of challenging areas such as engine efficiency and environmental protection. In this award, we proposed to develop new theoretical tools to understand elemental chemical processes in combustion environments. With the support of this DOE grant, we have made significant advances in developing new and more efficient and accurate algorithms to characterize reaction dynamics.

Technology development for lunar base water recycling

NASA Technical Reports Server (NTRS)

Schultz, John R.; Sauer, Richard L.

1992-01-01

This paper will review previous and ongoing work in aerospace water recycling and identify research activities required to support development of a lunar base. The development of a water recycle system for use in the life support systems envisioned for a lunar base will require considerable research work. A review of previous work on aerospace water recycle systems indicates that more efficient physical and chemical processes are needed to reduce expendable and power requirements. Development work on biological processes that can be applied to microgravity and lunar environments also needs to be initiated. Biological processes are inherently more efficient than physical and chemical processes and may be used to minimize resupply and waste disposal requirements. Processes for recovering and recycling nutrients such as nitrogen, phosphorus, and sulfur also need to be developed to support plant growth units. The development of efficient water quality monitors to be used for process control and environmental monitoring also needs to be initiated.

Reaction and Transport Processes Controlling In Situ Chemical Oxidation of DNAPLs

DTIC Science & Technology

2006-11-01

efficiency (MTE), which indicates the efficiency of oxidant use, and the volumetric depletion efficiency ( VDE ), which indicates the efficiency of the...indicating better oxidant use. The volumetric depletion efficiency ( VDE ) indicates the effectiveness of the flushing regime, with a higher value

Industrial applications using BASF eco-efficiency analysis: perspectives on green engineering principles.

PubMed

Shonnard, David R; Kicherer, Andreas; Saling, Peter

2003-12-01

Life without chemicals would be inconceivable, but the potential risks and impacts to the environment associated with chemical production and chemical products are viewed critically. Eco-efficiency analysis considers the economic and life cycle environmental effects of a product or process, giving these equal weighting. The major elements of the environmental assessment include primary energy use, raw materials utilization, emissions to all media, toxicity, safety risk, and land use. The relevance of each environmental category and also for the economic versus the environmental impacts is evaluated using national emissions and economic data. The eco-efficiency analysis method of BASF is briefly presented, and results from three applications to chemical processes and products are summarized. Through these applications, the eco-efficiency analyses mostly confirm the 12 Principles listed in Anastas and Zimmerman (Environ. Sci. Technol. 2003, 37(5), 94A), with the exception that, in one application, production systems based on bio-based feedstocks were not the most eco-efficient as compared to those based on fossil resources. Over 180 eco-efficiency analyses have been conducted at BASF, and their results have been used to support strategic decision-making, marketing, research and development, and communication with external parties. Eco-efficiency analysis, as one important strategy and success factor in sustainable development, will continue to be a very strong operational tool at BASF.

Soft Sensors: Chemoinformatic Model for Efficient Control and Operation in Chemical Plants.

PubMed

Funatsu, Kimito

2016-12-01

Soft sensor is statistical model as an essential tool for controlling pharmaceutical, chemical and industrial plants. I introduce soft sensor, the roles, the applications, the problems and the research examples such as adaptive soft sensor, database monitoring and efficient process control. The use of soft sensor enables chemical industrial plants to be operated more effectively and stably. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quantifying variability in removal efficiencies of chemicals in activated sludge wastewater treatment plants - a meta-analytical approach.

PubMed

Douziech, Mélanie; Conesa, Irene Rosique; Benítez-López, Ana; Franco, Antonio; Huijbregts, Mark; van Zelm, Rosalie

2018-01-24

Large variations in removal efficiencies (REs) of chemicals have been reported for monitoring studies of activated sludge wastewater treatment plants (WWTPs). In this work, we conducted a meta-analysis on REs (1539 data points) for a set of 209 chemicals consisting of fragrances, surfactants, and pharmaceuticals in order to assess the drivers of the variability relating to inherent properties of the chemicals and operational parameters of activated sludge WWTPs. For a reduced dataset (n = 542), we developed a mixed-effect model (meta-regression) to explore the observed variability in REs for the chemicals using three chemical specific factors and four WWTP-related parameters. The overall removal efficiency of the set of chemicals was 82.1% (95% CI 75.2-87.1%, N = 1539). Our model accounted for 17% of the total variability in REs, while the process-based model SimpleTreat did not perform better than the average of the measured REs. We identified that, after accounting for other factors potentially influencing RE, readily biodegradable compounds were better removed than non-readily biodegradable ones. Further, we showed that REs increased with increasing sludge retention times (SRTs), especially for non-readily biodegradable compounds. Finally, our model highlighted a decrease in RE with increasing K OC . The counterintuitive relationship to K OC stresses the need for a better understanding of electrochemical interactions influencing the RE of ionisable chemicals. In addition, we highlighted the need to improve the modelling of chemicals that undergo deconjugation when predicting RE. Our meta-analysis represents a first step in better explaining the observed variability in measured REs of chemicals. It can be of particular help to prioritize the improvements required in existing process-based models to predict removal efficiencies of chemicals in WWTPs.

Human exposure modeling in a life cycle framework for chemicals and products

EPA Science Inventory

A chemical enters into commerce to serve a specific function in a product or process. This decision triggers both the manufacture of the chemical and its potential release over the life cycle of the product. Efficiently evaluating chemical safety and sustainability requires combi...

Thermodynamic analysis of alternate energy carriers, hydrogen and chemical heat pipes

NASA Technical Reports Server (NTRS)

Cox, K. E.; Carty, R. H.; Conger, W. L.; Soliman, M. A.; Funk, J. E.

1976-01-01

The paper discusses the production concept and efficiency of two new energy transmission and storage media intended to overcome the disadvantages of electricity as an overall energy carrier. These media are hydrogen produced by water-splitting and the chemical heat pipe. Hydrogen can be transported or stored, and burned as energy is needed, forming only water and thus obviating pollution problems. The chemical heat pipe envisions a system in which heat is stored as the heat of reaction in chemical species. The thermodynamic analysis of these two methods is discussed in terms of first-law and second-law efficiency. It is concluded that chemical heat pipes offer large advantages over thermochemical hydrogen generation schemes on a first-law efficiency basis except for the degradation of thermal energy in temperature thus providing a source of low-temperature (800 K) heat for process heat applications. On a second-law efficiency basis, hydrogen schemes are superior in that the amount of available work is greater as compared to chemical heat pipes.

An approach in building a chemical compound search engine in oracle database.

PubMed

Wang, H; Volarath, P; Harrison, R

2005-01-01

A searching or identifying of chemical compounds is an important process in drug design and in chemistry research. An efficient search engine involves a close coupling of the search algorithm and database implementation. The database must process chemical structures, which demands the approaches to represent, store, and retrieve structures in a database system. In this paper, a general database framework for working as a chemical compound search engine in Oracle database is described. The framework is devoted to eliminate data type constrains for potential search algorithms, which is a crucial step toward building a domain specific query language on top of SQL. A search engine implementation based on the database framework is also demonstrated. The convenience of the implementation emphasizes the efficiency and simplicity of the framework.

On eco-efficient technologies to minimize industrial water consumption

NASA Astrophysics Data System (ADS)

Amiri, Mohammad C.; Mohammadifard, Hossein; Ghaffari, Ghasem

2016-07-01

Purpose - Water scarcity will further stress on available water systems and decrease the security of water in many areas. Therefore, innovative methods to minimize industrial water usage and waste production are of paramount importance in the process of extending fresh water resources and happen to be the main life support systems in many arid regions of the world. This paper demonstrates that there are good opportunities for many industries to save water and decrease waste water in softening process by substituting traditional with echo-friendly methods. The patented puffing method is an eco-efficient and viable technology for water saving and waste reduction in lime softening process. Design/methodology/approach - Lime softening process (LSP) is a very sensitive process to chemical reactions. In addition, optimal monitoring not only results in minimizing sludge that must be disposed of but also it reduces the operating costs of water conditioning. Weakness of the current (regular) control of LSP based on chemical analysis has been demonstrated experimentally and compared with the eco-efficient puffing method. Findings - This paper demonstrates that there is a good opportunity for many industries to save water and decrease waste water in softening process by substituting traditional method with puffing method, a patented eco-efficient technology. Originality/value - Details of the required innovative works to minimize industrial water usage and waste production are outlined in this paper. Employing the novel puffing method for monitoring of lime softening process results in saving a considerable amount of water while reducing chemical sludge.

Comparison of Iron and Tungsten Based Oxygen Carriers for Hydrogen Production Using Chemical Looping Reforming

NASA Astrophysics Data System (ADS)

Khan, M. N.; Shamim, T.

2017-08-01

Hydrogen production by using a three reactor chemical looping reforming (TRCLR) technology is an innovative and attractive process. Fossil fuels such as methane are the feedstocks used. This process is similar to a conventional steam-methane reforming but occurs in three steps utilizing an oxygen carrier. As the oxygen carrier plays an important role, its selection should be done carefully. In this study, two oxygen carrier materials of base metal iron (Fe) and tungsten (W) are analysed using a thermodynamic model of a three reactor chemical looping reforming plant in Aspen plus. The results indicate that iron oxide has moderate oxygen carrying capacity and is cheaper since it is abundantly available. In terms of hydrogen production efficiency, tungsten oxide gives 4% better efficiency than iron oxide. While in terms of electrical power efficiency, iron oxide gives 4.6% better results than tungsten oxide. Overall, a TRCLR system with iron oxide is 2.6% more efficient and is cost effective than the TRCLR system with tungsten oxide.

Research on removing reservoir core water sensitivity using the method of ultrasound-chemical agent for enhanced oil recovery.

PubMed

Wang, Zhenjun; Huang, Jiehao

2018-04-01

The phenomenon of water sensitivity often occurs in the oil reservoir core during the process of crude oil production, which seriously affects the efficiency of oil extraction. In recent years, near-well ultrasonic processing technology attaches more attention due to its safety and energy efficient. In this paper, the comparison of removing core water sensitivity by ultrasonic wave, chemical injection and ultrasound-chemical combination technique are investigated through experiments. Results show that: lower ultrasonic frequency and higher power can improve the efficiency of core water sensitivity removal; the effects of removing core water sensitivity under ultrasonic treatment get better with increase of core initial permeability; the effect of removing core water sensitivity using ultrasonic treatment won't get better over time. Ultrasonic treatment time should be controlled in a reasonable range; the effect of removing core water sensitivity using chemical agent alone is slightly better than that using ultrasonic treatment, however, chemical injection could be replaced by ultrasonic treatment for removing core water sensitivity from the viewpoint of oil reservoir protection and the sustainable development of oil field; ultrasound-chemical combination technique has the best effect for water sensitivity removal than using ultrasonic treatment or chemical injection alone. Copyright © 2017 Elsevier B.V. All rights reserved.

CFD studies on biomass thermochemical conversion.

PubMed

Wang, Yiqun; Yan, Lifeng

2008-06-01

Thermochemical conversion of biomass offers an efficient and economically process to provide gaseous, liquid and solid fuels and prepare chemicals derived from biomass. Computational fluid dynamic (CFD) modeling applications on biomass thermochemical processes help to optimize the design and operation of thermochemical reactors. Recent progression in numerical techniques and computing efficacy has advanced CFD as a widely used approach to provide efficient design solutions in industry. This paper introduces the fundamentals involved in developing a CFD solution. Mathematical equations governing the fluid flow, heat and mass transfer and chemical reactions in thermochemical systems are described and sub-models for individual processes are presented. It provides a review of various applications of CFD in the biomass thermochemical process field.

CFD Studies on Biomass Thermochemical Conversion

PubMed Central

Wang, Yiqun; Yan, Lifeng

2008-01-01

Thermochemical conversion of biomass offers an efficient and economically process to provide gaseous, liquid and solid fuels and prepare chemicals derived from biomass. Computational fluid dynamic (CFD) modeling applications on biomass thermochemical processes help to optimize the design and operation of thermochemical reactors. Recent progression in numerical techniques and computing efficacy has advanced CFD as a widely used approach to provide efficient design solutions in industry. This paper introduces the fundamentals involved in developing a CFD solution. Mathematical equations governing the fluid flow, heat and mass transfer and chemical reactions in thermochemical systems are described and sub-models for individual processes are presented. It provides a review of various applications of CFD in the biomass thermochemical process field. PMID:19325848

A detailed evaluation of heating processes in the middle atmosphere

NASA Technical Reports Server (NTRS)

Mlynczak, Martin; Solomon, Susan

1994-01-01

A fundamental problem in the study of the terrestrial middle atmosphere is to calculate accurately the local heating due to the absorption of solar radiation. Knowledge of the heat budget is essential to understanding the atmospheric thermal structure, atmospheric motions, atmospheric chemistry, and their coupling. The evaluation of heating rates is complicated (especially above the stratopause) by the fact that the heating is not a simple one-step process. That is, the absorbed solar energy does not all immediately appear as heat. Rather, substantial portions of the incident energy may appear as internal energy of excited photolysis products (e.g., O(1D) or O2(1 delta)) or as chemical potential energy of product species such as atomic oxygen. The ultimate disposition of the internal and chemical energy possessed by the photolysis products determines the efficiency and thus the rate at which the middle atmosphere is heated. In studies of the heat budget, it is also vitally important to consider transport of long lived chemical species such as atomic oxygen above approximately 80 km. In such cases, the chemical potential energy may be transported great distances (horizontally or vertically) before undergoing a reaction to release the heat. Atomic oxygen influences the heating not only by reactions with itself and with O2 but also by reactions with odd-hydrogen species, especially those involving OH (Mlynczak and Solomon, 1991a). Consequently, absorbed solar energy may finally by converted to heat a long time after and at a location far from the original deposition. The purpose of this paper is to examine the solar and chemical heating processes and to present parameterizations for the heating efficiencies readily applicable for use in numerical models and heat budget studies. In the next two sections the processes relevant to the heating efficiencies for ozone and molecular oxygen will be reviewed. In section 4 the processes for the exothermic reactions will be reviewed and parameterizations for the heating efficiencies for both the solar and chemical processes will be presented in Section 5.

Modular Chemical Process Intensification: A Review.

PubMed

Kim, Yong-Ha; Park, Lydia K; Yiacoumi, Sotira; Tsouris, Costas

2017-06-07

Modular chemical process intensification can dramatically improve energy and process efficiencies of chemical processes through enhanced mass and heat transfer, application of external force fields, enhanced driving forces, and combinations of different unit operations, such as reaction and separation, in single-process equipment. These dramatic improvements lead to several benefits such as compactness or small footprint, energy and cost savings, enhanced safety, less waste production, and higher product quality. Because of these benefits, process intensification can play a major role in industrial and manufacturing sectors, including chemical, pulp and paper, energy, critical materials, and water treatment, among others. This article provides an overview of process intensification, including definitions, principles, tools, and possible applications, with the objective to contribute to the future development and potential applications of modular chemical process intensification in industrial and manufacturing sectors. Drivers and barriers contributing to the advancement of process intensification technologies are discussed.

Modular Chemical Process Intensification: A Review

DOE PAGES

Kim, Yong-ha; Park, Lydia K.; Yiacoumi, Sotira; ...

2016-06-24

Modular chemical process intensification can dramatically improve energy and process efficiencies of chemical processes through enhanced mass and heat transfer, application of external force fields, enhanced driving forces, and combinations of different unit operations, such as reaction and separation, in single-process equipment. Dramatic improvements such as these lead to several benefits such as compactness or small footprint, energy and cost savings, enhanced safety, less waste production, and higher product quality. Because of these benefits, process intensification can play a major role in industrial and manufacturing sectors, including chemical, pulp and paper, energy, critical materials, and water treatment, among others. Thismore » article provides an overview of process intensification, including definitions, principles, tools, and possible applications, with the objective to contribute to the future development and potential applications of modular chemical process intensification in industrial and manufacturing sectors. Drivers and barriers contributing to the advancement of process intensification technologies are discussed.« less

Efficiency loss of thin film Cu(InxGa1-x)Se(S) solar panels by lamination process

NASA Astrophysics Data System (ADS)

Xu, Li

2017-04-01

Efficiency loss of thin film Cu(InxGa1-x)Se(S) (CIGS) solar panels by lamination process has been compromising the final output power in commercial products of solar modules, but few reports have been published on such issue, as the majority of the investigation is focused on the efficiency at the circuit level, i.e., before lamination process. In this paper, we studied the effect of lamination process to the efficiency loss of thin film CIGS solar panels. It was observed that the fill factor degradation dominated the efficiency loss with the small change of Voc and Jsc. Experiments showed that neither the temperature nor the pressure, nor the two combined in the lamination process is the root cause of the efficiency loss; instead, the ethylene vinyl acetate (EVA) layer as the encapsulation material which directly contacts the solar cell devices was the major factor responsible for the efficiency loss. It was found that the gel content of the cured EVA film after lamination was highly correlated to the efficiency loss. The higher the gel content, the higher the efficiency loss. The mismatch of coefficient of thermal expansion between the EVA film and the CIGS thin film resulted in compressive stress in the device layer after lamination process. The compressive stress is speculated to affect the lattice defects, but need to be confirmed with the measurement of capacitance voltage (CV) and drive level capacitance profiling (DLCP). Three-day sun soak was then carried out and it was observed that the fill factor recovered significantly and so did the efficiency. Experiments also showed that there was no impact of chemical erosion on the front electrode of transparent conductive oxide (TCO) films by chemicals released from the EVA films during lamination.

Separation of chemical groups from bio-oil aqueous phase via sequential organic solvent extraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ren, Shoujie; Ye, Philip; Borole, Abhijeet P

Bio-oil aqueous phase contains a considerable amount of furans, alcohols, ketones, aldehydes and phenolics besides the major components of organic acids and anhydrosugars. The complexity of bio-oil aqueous phase limits its efficient utilization. To improve the efficiency of bio-oil biorefinery, this study focused on the separation of chemical groups from bio-oil aqueous phase via sequential organic solvent extractions. Due to their high recoverability and low solubility in water, four solvents (hexane, petroleum ether, chloroform, and ethyl acetate) with different polarities were evaluated, and the optimum process conditions for chemical extraction were determined. Chloroform had high extraction efficiency for furans, phenolics,more » and ketones. In addition to these chemical groups, ethyl acetate had high extraction efficiency for organic acids. The sequential extraction by using chloroform followed by ethyl acetate rendered that 62.2 wt.% of original furans, ketones, alcohols, and phenolics were extracted to chloroform, over 62 wt.% acetic acid was extracted to ethyl acetate, resulting in a high concentration of levoglucosan (~53.0 wt.%) in the final aqueous phase. Chemicals separated via the sequential extraction could be used as feedstocks in biorefinery using processes such as catalytic upgrading of furans and phenolics to hydrocarbons, fermentation of levoglucosan to produce alcohols and diols, and hydrogen production from organic acids via microbial electrolysis.« less

Separation of chemical groups from bio-oil aqueous phase via sequential organic solvent extraction

DOE PAGES

Ren, Shoujie; Ye, Philip; Borole, Abhijeet P

2017-01-05

Bio-oil aqueous phase contains a considerable amount of furans, alcohols, ketones, aldehydes and phenolics besides the major components of organic acids and anhydrosugars. The complexity of bio-oil aqueous phase limits its efficient utilization. To improve the efficiency of bio-oil biorefinery, this study focused on the separation of chemical groups from bio-oil aqueous phase via sequential organic solvent extractions. Due to their high recoverability and low solubility in water, four solvents (hexane, petroleum ether, chloroform, and ethyl acetate) with different polarities were evaluated, and the optimum process conditions for chemical extraction were determined. Chloroform had high extraction efficiency for furans, phenolics,more » and ketones. In addition to these chemical groups, ethyl acetate had high extraction efficiency for organic acids. The sequential extraction by using chloroform followed by ethyl acetate rendered that 62.2 wt.% of original furans, ketones, alcohols, and phenolics were extracted to chloroform, over 62 wt.% acetic acid was extracted to ethyl acetate, resulting in a high concentration of levoglucosan (~53.0 wt.%) in the final aqueous phase. Chemicals separated via the sequential extraction could be used as feedstocks in biorefinery using processes such as catalytic upgrading of furans and phenolics to hydrocarbons, fermentation of levoglucosan to produce alcohols and diols, and hydrogen production from organic acids via microbial electrolysis.« less

Boosting Manufacturing through Modular Chemical Process Intensification

ScienceCinema

None

2018-06-12

Manufacturing USA's Rapid Advancement in Process Intensification Deployment Institute will focus on developing breakthrough technologies to boost domestic energy productivity and energy efficiency by 20 percent in five years through manufacturing processes.

Boosting Manufacturing through Modular Chemical Process Intensification

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

2016-12-09

Manufacturing USA's Rapid Advancement in Process Intensification Deployment Institute will focus on developing breakthrough technologies to boost domestic energy productivity and energy efficiency by 20 percent in five years through manufacturing processes.

Chemical desorption and diffusive dust chemistry

NASA Astrophysics Data System (ADS)

Dulieu, Francois; Pirronello, Valerio; Minissale, Marco; Congiu, Emanuele; Baouche, Saoud; Chaabouni, Henda; Moudens, Audrey; Accolla, Mario; Cazaux, Stephanie; Manicò, Giulio

In molecular clouds, gaseous species can accrete efficiently on the cold surfaces of dust grains. As for radical-radical reactions, the surface of the grains acts as a third body, and changes dramatically the efficiency of the reactions (i.e., H2 formation), or lowers considerably the barrier to formation (i.e., H2O synthesis) in comparison with gas phase reaction processes. These properties make dust grains efficient catalytic templates. However, the chemical role of dust grains depends on the diffusive properties of the reactive partners. Over the last years, we have developed experimental tools and methods to explore the chemistry occurring on cold (6-50K) surfaces. We have obtained some hints about the diffusivity of H on amorphous ice, and studied in detail the diffusion of O atoms. The latter species appears to have a hopping rate in the range 0.01-100 hops/sec. The diffusion rate of O atoms is dependent on the surface morphology and on the surface temperature. The diffusion law is compatible with a diffusion dominated by quantum tunnelling rather than classical thermal hopping. Using H, O, N atoms and, indirectly, OH and HCO radicals, we have begun to explore many chemical reactive networks. In this presentation, I will focus on the formation of H2O and CO2, and will propose many possible formation routes to obtain these chemical traps. The molecules formed on surfaces have a certain probability of desorbing upon their formation. This non-thermal desorption mechanism, or chemical desorption, has been proposed to explain why some molecules can be detected in the gas phase of those region where they were believed to be part of the icy mantles covering dust grains. We have shown that this process can be very efficient, but is very sensitive to the substrate and the surroundings of the reaction site, is dependent on the kind of molecule formed and its chemical pathway. In my presentation I will present how the surface coverage and the type of reaction can play a major role in the chemical desorption process. I will discuss of possible key parameters that rule this process.

Chemical oxygen demand reduction in coffee wastewater through chemical flocculation and advanced oxidation processes.

PubMed

Zayas Pérez, Teresa; Geissler, Gunther; Hernandez, Fernando

2007-01-01

The removal of the natural organic matter present in coffee processing wastewater through chemical coagulation-flocculation and advanced oxidation processes (AOP) had been studied. The effectiveness of the removal of natural organic matter using commercial flocculants and UV/H2O2, UV/O3 and UV/H2O2/O3 processes was determined under acidic conditions. For each of these processes, different operational conditions were explored to optimize the treatment efficiency of the coffee wastewater. Coffee wastewater is characterized by a high chemical oxygen demand (COD) and low total suspended solids. The outcomes of coffee wastewater treatment using coagulation-flocculation and photodegradation processes were assessed in terms of reduction of COD, color, and turbidity. It was found that a reduction in COD of 67% could be realized when the coffee wastewater was treated by chemical coagulation-flocculation with lime and coagulant T-1. When coffee wastewater was treated by coagulation-flocculation in combination with UV/H2O2, a COD reduction of 86% was achieved, although only after prolonged UV irradiation. Of the three advanced oxidation processes considered, UV/H2O2, UV/O3 and UV/H2O2/O3, we found that the treatment with UV/H2O2/O3 was the most effective, with an efficiency of color, turbidity and further COD removal of 87%, when applied to the flocculated coffee wastewater.

Process simulation for advanced composites production

DOE Office of Scientific and Technical Information (OSTI.GOV)

Allendorf, M.D.; Ferko, S.M.; Griffiths, S.

1997-04-01

The objective of this project is to improve the efficiency and lower the cost of chemical vapor deposition (CVD) processes used to manufacture advanced ceramics by providing the physical and chemical understanding necessary to optimize and control these processes. Project deliverables include: numerical process models; databases of thermodynamic and kinetic information related to the deposition process; and process sensors and software algorithms that can be used for process control. Target manufacturing techniques include CVD fiber coating technologies (used to deposit interfacial coatings on continuous fiber ceramic preforms), chemical vapor infiltration, thin-film deposition processes used in the glass industry, and coatingmore » techniques used to deposit wear-, abrasion-, and corrosion-resistant coatings for use in the pulp and paper, metals processing, and aluminum industries.« less

Highly efficient chemical process to convert mucic acid into adipic acid and DFT studies of the mechanism of the rhenium-catalyzed deoxydehydration.

PubMed

Li, Xiukai; Wu, Di; Lu, Ting; Yi, Guangshun; Su, Haibin; Zhang, Yugen

2014-04-14

The production of bulk chemicals and fuels from renewable bio-based feedstocks is of significant importance for the sustainability of human society. Adipic acid, as one of the most-demanded drop-in chemicals from a bioresource, is used primarily for the large-volume production of nylon-6,6 polyamide. It is highly desirable to develop sustainable and environmentally friendly processes for the production of adipic acid from renewable feedstocks. However, currently there is no suitable bio-adipic acid synthesis process. Demonstrated herein is the highly efficient synthetic protocol for the conversion of mucic acid into adipic acid through the oxorhenium-complex-catalyzed deoxydehydration (DODH) reaction and subsequent Pt/C-catalyzed transfer hydrogenation. Quantitative yields (99 %) were achieved for the conversion of mucic acid into muconic acid and adipic acid either in separate sequences or in a one-step process. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical or electrochemical techniques, followed by ion exchange, for recycle of textile dye wastewater.

PubMed

Raghu, S; Ahmed Basha, C

2007-10-22

This paper examines the use of chemical or electrocoagulation treatment process followed by ion-exchange process of the textile dye effluent. The dye effluent was treated using polymeric coagulant (cationic dye-fixing agent) or electrocoagulation (iron and aluminum electrode) process under various conditions such as various current densities and effect of pH. Efficiencies of COD reduction, colour removal and power consumption were studied for each process. The chemical or electrochemical treatment are indented primarily to remove colour and COD of wastewater while ion exchange is used to further improve the removal efficiency of the colour, COD, Fe concentration, conductivity, alkalinity and total dissolved solids (TDS). From the results chemical coagulation, maximum COD reduction of about 81.3% was obtained at 300 mg/l of coagulant whereas in electrocoagulation process, maximum COD removal of about 92.31% (0.25 A/dm2) was achieved with energy consumption of about 19.29 k Wh/kg of COD and 80% (1A/dm(2)) COD removal was obtained with energy consumption of about 130.095 k Wh/kg of COD at iron and aluminum electrodes, respectively. All the experimental results, throughout the present study, have indicated that chemical or electrocoagulation treatment followed by ion-exchange methods were very effective and were capable of elevating quality of the treated wastewater effluent to the reuse standard of the textile industry.

Development and evaluation of a collection apparatus for recoil products for study of the deexcitation process of (235m)U.

PubMed

Shigekawa, Y; Kasamatsu, Y; Shinohara, A

2016-05-01

The nucleus (235m)U is an isomer with extremely low excitation energy (76.8 eV) and decays dominantly through the internal conversion (IC) process. Because outer-shell electrons are involved in the IC process, the decay constant of (235m)U depends on its chemical environment. We plan to study the deexcitation process of (235m)U by measuring the energy spectra of IC electrons in addition to the decay constants for various chemical forms. In this paper, the preparation method of (235m)U samples from (239)Pu by using alpha-recoil energy is reported. A Collection Apparatus for Recoil Products was fabricated, and then collection efficiencies under various conditions were determined by collecting (224)Ra recoiling out of (228)Th electrodeposited and precipitated sources. The pressure in the apparatus (vacuum or 1 atm of N2 gas) affected the variations of the collection efficiencies depending on the negative voltage applied to the collector. The maximum values of the collection efficiencies were mainly affected by the thickness of the (228)Th sources. From these results, the suitable conditions of the (239)Pu sources for preparation of (235m)U were determined. In addition, dissolution efficiencies were determined by washing collected (224)Ra with solutions. When (224)Ra was collected in 1 atm of N2 gas and dissolved with polar solutions such as water, the dissolution efficiencies were nearly 100%. The method of rapid dissolution of recoil products would be applicable to rapid preparation of short-lived (235m)U samples for various chemical forms.

Adverse outcome pathway networks II: Network analytics

EPA Science Inventory

The US EPA is developing more cost effective and efficient ways to evaluate chemical safety using high throughput and computationally based testing strategies. An important component of this approach is the ability to translate chemical effects on fundamental biological processes...

Towards More Efficient, Greener Syntheses through Flow Chemistry.

PubMed

Lummiss, Justin A M; Morse, Peter D; Beingessner, Rachel L; Jamison, Timothy F

2017-07-01

Technological advances have an important role in the design of greener synthetic processes. In this Personal Account, we describe a wide range of thermal, photochemical, catalytic, and biphasic chemical transformations examined by our group. Each of these demonstrate how the merits of a continuous flow synthesis platform can align with some of the goals put forth by the Twelve Principles of Green Chemistry. In particular, we illustrate the potential for improved reaction efficiency in terms of atom economy, product yield and reaction rates, the ability to design synthetic process with chemical and solvent waste reduction in mind as well as highlight the benefits of the real-time monitoring capabilities in flow for highly controlled synthetic output. © 2017 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

[Prospects in getting accordance between chemical analytic control means and medical technical requirements to safety system concerning chemical weapons destruction].

PubMed

Rembovskiĭ, V R; Mogilenkova, L A; Savel'eva, E I

2005-01-01

The major unit monitoring chemical weapons destruction objects is a system of chemical analyticcontrol over the technologic process procedures and possibility of environment and workplace pollution withtoxicchemicals and their destruction products. At the same time, physical and chemical control means meet sanitary and hygienic requirements incompletely. To provide efficient control, internationally recognized approaches should be adapted to features of Russian system monitoring pollution of chemical weapons destruction objects with toxic chemicals.

Tuning Chemical Potential Difference across Alternately Doped Graphene p-n Junctions for High-Efficiency Photodetection.

PubMed

Lin, Li; Xu, Xiang; Yin, Jianbo; Sun, Jingyu; Tan, Zhenjun; Koh, Ai Leen; Wang, Huan; Peng, Hailin; Chen, Yulin; Liu, Zhongfan

2016-07-13

Being atomically thin, graphene-based p-n junctions hold great promise for applications in ultrasmall high-efficiency photodetectors. It is well-known that the efficiency of such photodetectors can be improved by optimizing the chemical potential difference of the graphene p-n junction. However, to date, such tuning has been limited to a few hundred millielectronvolts. To improve this critical parameter, here we report that using a temperature-controlled chemical vapor deposition process, we successfully achieved modulation-doped growth of an alternately nitrogen- and boron-doped graphene p-n junction with a tunable chemical potential difference up to 1 eV. Furthermore, such p-n junction structure can be prepared on a large scale with stable, uniform, and substitutional doping and exhibits a single-crystalline nature. This work provides a feasible method for synthesizing low-cost, large-scale, high efficiency graphene p-n junctions, thus facilitating their applications in optoelectronic and energy conversion devices.

Fates of Chemical Elements in Biomass during Its Pyrolysis.

PubMed

Liu, Wu-Jun; Li, Wen-Wei; Jiang, Hong; Yu, Han-Qing

2017-05-10

Biomass is increasingly perceived as a renewable resource rather than as an organic solid waste today, as it can be converted to various chemicals, biofuels, and solid biochar using modern processes. In the past few years, pyrolysis has attracted growing interest as a promising versatile platform to convert biomass into valuable resources. However, an efficient and selective conversion process is still difficult to be realized due to the complex nature of biomass, which usually makes the products complicated. Furthermore, various contaminants and inorganic elements (e.g., heavy metals, nitrogen, phosphorus, sulfur, and chlorine) embodied in biomass may be transferred into pyrolysis products or released into the environment, arousing environmental pollution concerns. Understanding their behaviors in biomass pyrolysis is essential to optimizing the pyrolysis process for efficient resource recovery and less environmental pollution. However, there is no comprehensive review so far about the fates of chemical elements in biomass during its pyrolysis. Here, we provide a critical review about the fates of main chemical elements (C, H, O, N, P, Cl, S, and metals) in biomass during its pyrolysis. We overview the research advances about the emission, transformation, and distribution of elements in biomass pyrolysis, discuss the present challenges for resource-oriented conversion and pollution abatement, highlight the importance and significance of understanding the fate of elements during pyrolysis, and outlook the future development directions for process control. The review provides useful information for developing sustainable biomass pyrolysis processes with an improved efficiency and selectivity as well as minimized environmental impacts, and encourages more research efforts from the scientific communities of chemistry, the environment, and energy.

Natural Alternatives for Chemicals Used in Histopathology Lab- A Literature Review.

PubMed

Ramamoorthy, Ananthalakshmi; Ravi, Shivani; Jeddy, Nadeem; Thangavelu, Radhika; Janardhanan, Sunitha

2016-11-01

Histopathology lab is the place where the specimen gets processed and stained to view under microscope for interpretation. Exposure to the chemicals used in these processes cause various health hazards to the laboratory technicians, pathologists, and scientists working in the laboratory. Hence, there is a dire need to introduce healthy and bio-friendly alternatives in the field. This literature review explores the natural products and their efficiency to be used as alternatives for chemicals in the histopathology lab.

Adverse outcome pathway networks: Development, analytics and applications

EPA Science Inventory

The US EPA is developing more cost effective and efficient ways to evaluate chemical safety using high throughput and computationally based testing strategies. An important component of this approach is the ability to translate chemical effects on fundamental biological processes...

Adverse outcome pathway networks I: Development and applications

EPA Science Inventory

The US EPA is developing more cost effective and efficient ways to evaluate chemical safety using high throughput and computationally based testing strategies. An important component of this approach is the ability to translate chemical effects on fundamental biological processes...

Treatment of Actual Chemical Wastewater by a Heterogeneous Fenton Process Using Natural Pyrite

PubMed Central

Sun, Liang; Li, Yan; Li, Aimin

2015-01-01

Wastewater from chemical plants has remarkable antibiotic effects on the microorganisms in traditional biological treatment processes. An enhanced Fenton system catalyzed by natural pyrite was developed to degrade this kind of wastewater. Approximately 30% chemical oxygen demand (COD) was removed within 120 min when 50 mmol/L H2O2 and 10 g/L natural pyrite were used at initial pH from 1.8 to 7. A BOD5/COD enhancement efficiency of 210% and an acute biotoxicity removal efficiency of 84% were achieved. The COD removal efficiency was less sensitive to initial pH than was the classic Fenton process. Excessive amounts of pyrite and H2O2 did not negatively affect the pyrite Fenton system. The amount of aniline generated indicated that nitrobenzene reduction by pyrite was promoted using a low initial concentration of H2O2 (<5 mmol/L). Fluorescence excitation emission matrix analyses illustrated that H2O2 facilitated the reduction by natural pyrite of organic molecules containing an electron-withdrawing group to electron-donating group. Thus, the Fenton-like process catalyzed by pyrite can remediate wastewater containing organic pollutants under mild reaction conditions and provide an alternative environmentally friendly method by which to reuse natural pyrite. PMID:26516893

Retention-oxidation-adsorption process for emergent treatment of organic liquid spills.

PubMed

Liu, Xianjun; Li, Yu; Zhang, Xingwang; Lei, Lecheng

2011-11-15

The feasibility and effectiveness of retention-oxidation-adsorption process (ROA) for the elimination of organic contaminants induced by chemical accidents were investigated in this study. Organobentonites (DTMA-, TTA-, CTMA- and OTMA-bentonite), potassium ferrate (Fe(VI)), ozone and granular activated carbon (GAC) were used as rapid and efficient materials in the treatment and recovery of organic liquid spills. Results indicated that the retention capacities of organobentonites (especially CTMA-bentonite) were much higher than that of natural bentonite towards the chosen organic compounds. Additionally, pH, oxidant dosage, initial concentration of contaminant and chemical structure had significant influences on the effectiveness of the oxidation process. In a pilot-scale experiment, the ferrate/GAC (F/G) and ozone/GAC (O/G) processes made a comparatively good performance in the treatment of wastewater containing aniline or nitrobenzene, with the removal efficiencies of the contaminants greater than 80%. Overall, the ROA process showed a high efficiency and steady operation in the removal of hazardous organic liquids and subsequent clean up of the contaminated site. Crown Copyright © 2011. Published by Elsevier B.V. All rights reserved.

Removal of Chalk River unidentified deposit (CRUD) radioactive waste by enhanced electrokinetic process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Won-Seok; Nam, Seongsik; Chang, Seeun

Decontamination techniques proposed and used to remove Chalk River unidentified deposit (CRUD) in radioactive waste management. In cases of huge volumes of metal or radionuclides contaminated by CRUD, removal of CRUD by mechanical or chemical decontamination is difficult. An advanced electrokinetic process combined with chemical decontamination was applied to remove CRUD and experimentally evaluated. We used oxalic acid for CRUD removal, and cobalt (Co) released from the CRUD was transferred to the cathode in an electrokinetic reactor. Our results indicate that the combined system is efficient for CRUD removal with enhanced, efficiency by use of the cation exchange membrane andmore » zeolite.« less

Removal of Chalk River unidentified deposit (CRUD) radioactive waste by enhanced electrokinetic process

DOE PAGES

Kim, Won-Seok; Nam, Seongsik; Chang, Seeun; ...

2017-08-13

Decontamination techniques proposed and used to remove Chalk River unidentified deposit (CRUD) in radioactive waste management. In cases of huge volumes of metal or radionuclides contaminated by CRUD, removal of CRUD by mechanical or chemical decontamination is difficult. An advanced electrokinetic process combined with chemical decontamination was applied to remove CRUD and experimentally evaluated. We used oxalic acid for CRUD removal, and cobalt (Co) released from the CRUD was transferred to the cathode in an electrokinetic reactor. Our results indicate that the combined system is efficient for CRUD removal with enhanced, efficiency by use of the cation exchange membrane andmore » zeolite.« less

Lignocellulosic Biomass Transformations via Greener Oxidative Pretreatment Processes: Access to Energy and Value-Added Chemicals

PubMed Central

Den, Walter; Sharma, Virender K.; Lee, Mengshan; Nadadur, Govind; Varma, Rajender S.

2018-01-01

Anthropogenic climate change, principally induced by the large volume of carbon dioxide emission from the global economy driven by fossil fuels, has been observed and scientifically proven as a major threat to civilization. Meanwhile, fossil fuel depletion has been identified as a future challenge. Lignocellulosic biomass in the form of organic residues appears to be the most promising option as renewable feedstock for the generation of energy and platform chemicals. As of today, relatively little bioenergy comes from lignocellulosic biomass as compared to feedstock such as starch and sugarcane, primarily due to high cost of production involving pretreatment steps required to fragment biomass components via disruption of the natural recalcitrant structure of these rigid polymers; low efficiency of enzymatic hydrolysis of refractory feedstock presents a major challenge. The valorization of lignin and cellulose into energy products or chemical products is contingent on the effectiveness of selective depolymerization of the pretreatment regime which typically involve harsh pyrolytic and solvothermal processes assisted by corrosive acids or alkaline reagents. These unselective methods decompose lignin into many products that may not be energetically or chemically valuable, or even biologically inhibitory. Exploring milder, selective and greener processes, therefore, has become a critical subject of study for the valorization of these materials in the last decade. Efficient alternative activation processes such as microwave- and ultrasound irradiation are being explored as replacements for pyrolysis and hydrothermolysis, while milder options such as advanced oxidative and catalytic processes should be considered as choices to harsher acid and alkaline processes. Herein, we critically abridge the research on chemical oxidative techniques for the pretreatment of lignocellulosics with the explicit aim to rationalize the objectives of the biomass pretreatment step and the problems associated with the conventional processes. The mechanisms of reaction pathways, selectivity and efficiency of end-products obtained using greener processes such as ozonolysis, photocatalysis, oxidative catalysis, electrochemical oxidation, and Fenton or Fenton-like reactions, as applied to depolymerization of lignocellulosic biomass are summarized with deliberation on future prospects of biorefineries with greener pretreatment processes in the context of the life cycle assessment. PMID:29755972

Lignocellulosic Biomass Transformations via Greener Oxidative Pretreatment Processes: Access to Energy and Value-Added Chemicals.

PubMed

Den, Walter; Sharma, Virender K; Lee, Mengshan; Nadadur, Govind; Varma, Rajender S

2018-01-01

Anthropogenic climate change, principally induced by the large volume of carbon dioxide emission from the global economy driven by fossil fuels, has been observed and scientifically proven as a major threat to civilization. Meanwhile, fossil fuel depletion has been identified as a future challenge. Lignocellulosic biomass in the form of organic residues appears to be the most promising option as renewable feedstock for the generation of energy and platform chemicals. As of today, relatively little bioenergy comes from lignocellulosic biomass as compared to feedstock such as starch and sugarcane, primarily due to high cost of production involving pretreatment steps required to fragment biomass components via disruption of the natural recalcitrant structure of these rigid polymers; low efficiency of enzymatic hydrolysis of refractory feedstock presents a major challenge. The valorization of lignin and cellulose into energy products or chemical products is contingent on the effectiveness of selective depolymerization of the pretreatment regime which typically involve harsh pyrolytic and solvothermal processes assisted by corrosive acids or alkaline reagents. These unselective methods decompose lignin into many products that may not be energetically or chemically valuable, or even biologically inhibitory. Exploring milder, selective and greener processes, therefore, has become a critical subject of study for the valorization of these materials in the last decade. Efficient alternative activation processes such as microwave- and ultrasound irradiation are being explored as replacements for pyrolysis and hydrothermolysis, while milder options such as advanced oxidative and catalytic processes should be considered as choices to harsher acid and alkaline processes. Herein, we critically abridge the research on chemical oxidative techniques for the pretreatment of lignocellulosics with the explicit aim to rationalize the objectives of the biomass pretreatment step and the problems associated with the conventional processes. The mechanisms of reaction pathways, selectivity and efficiency of end-products obtained using greener processes such as ozonolysis, photocatalysis, oxidative catalysis, electrochemical oxidation, and Fenton or Fenton-like reactions, as applied to depolymerization of lignocellulosic biomass are summarized with deliberation on future prospects of biorefineries with greener pretreatment processes in the context of the life cycle assessment.

Lignocellulosic Biomass Transformations via Greener Oxidative Pretreatment Processes: Access to Energy and Value-Added Chemicals

NASA Astrophysics Data System (ADS)

Den, Walter; Sharma, Virender K.; Lee, Mengshan; Nadadur, Govind; Varma, Rajender S.

2018-04-01

Anthropogenic climate change, principally induced by the large volume of carbon dioxide emission from the global economy driven by fossil fuels, has been observed and scientifically proven as a major threat to civilization. Meanwhile, fossil fuel depletion has been identified as a future challenge. Lignocellulosic biomass in the form of organic residues appears to be the most promising option as renewable feedstock for the generation of energy and platform chemicals. As of today, relatively little bioenergy comes from lignocellulosic biomass as compared to feedstock such as starch and sugarcane, primarily due to high cost of production involving pretreatment steps required to fragment biomass components via disruption of the natural recalcitrant structure of these rigid polymers; low efficiency of enzymatic hydrolysis of refractory feedstock presents a major challenge. The valorization of lignin and cellulose into energy products or chemical products is contingent on the effectiveness of selective depolymerization of the pretreatment regime which typically involve harsh pyrolytic and solvothermal processes assisted by corrosive acids or alkaline reagents. These unselective methods decompose lignin into many products that may not be energetically or chemically valuable, or even biologically inhibitory. Exploring milder, selective and greener processes, therefore, has become a critical subject of study for the valorization of these materials in the last decade. Efficient alternative activation processes such as microwave- and ultrasound irradiation are being explored as replacements for pyrolysis and hydrothermolysis, while milder options such as advanced oxidative and catalytic processes should be considered as choices to harsher acid and alkaline processes. Herein, we critically abridge the research on chemical oxidative techniques for the pretreatment of lignocellulosics with the explicit aim to rationalize the objectives of the biomass pretreatment step and the problems associated with the conventional processes. The mechanisms of reaction pathways, selectivity and efficiency of end-products obtained using greener processes such as ozonolysis, photocatalysis, oxidative catalysis, electrochemical oxidation, and Fenton or Fenton-like reactions, as applied to depolymerization of lignocellulosic biomass are summarized with deliberation on future prospects of biorefineries with greener pretreatment processes in the context of the life cycle assessment.

Indicators and Metrics for Evaluating the Sustainability of Chemical Processes

EPA Science Inventory

A metric-based method, called GREENSCOPE, has been developed for evaluating process sustainability. Using lab-scale information and engineering assumptions the method evaluates full-scale epresentations of processes in environmental, efficiency, energy and economic areas. The m...

Carbon black dispersion pre-plating technology for printed wire board manufacturing. Final technology evaluation report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Folsom, D.W.; Gavaskar, A.R.; Jones, J.A.

1993-10-01

The project compared chemical use, waste generation, cost, and product quality between electroless copper and carbon-black-based preplating technologies at the printed wire board (PWB) manufacturing facility of McCurdy Circuits in Orange, CA. The carbon-black based preplating technology evaluated is used as an alternative process for electroless copper (EC) plating of through-holes before electrolytic copper plating. The specific process used at McCurdy is the BlackHole (BH) technology process, which uses a dispersion of carbon black in an aqueous solution to provide a conductive surface for subsequent electrolytic copper plating. The carbon-black dispersion technology provided effective waste reduction and long-term cost savings.more » The economic analysis determined that the new process was cost efficient because chemical use was reduced and the process proved more efficient; the payback period was less than 4 yrs.« less

Activities of the Institute of Chemical Processing of Coal at Zabrze

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dreszer, K.

1995-12-31

The Institute of Chemical Processing of Coal at Zabrze was established in 1955. The works on carbochemical technologies have been, therefore, carried out at the Institute for 40 years. The targets of the Institute`s activities are research, scientific and developing works regarding a sensible utilization of fuels via their processing into more refined forms, safe environment, highly efficient use of energy carriers and technological products of special quality. The Institute of Chemical Processing of Coal has been dealing with the following: optimized use of home hard coals; improvement of classic coal coking technologies, processing and utilization of volatile coking products;more » production technologies of low emission rate fuels for communal management; analyses of coal processing technologies; new technologies aimed at increasing the efficiency of coal utilization for energy-generating purposes, especially in industry and studies on the ecological aspects of these processes; production technologies of sorbents and carbon activating agents and technologies of the utilization; rationalization of water and wastes management in the metallurgical and chemical industries in connection with removal of pollution especially dangerous to the environment from wastes; utilization technologies of refined materials (electrode cokes, binders, impregnating agents) for making electrodes, refractories and new generation construction carbon materials; production technologies of high quality bituminous and bituminous and resin coating, anti-corrosive and insulation materials; environmentally friendly utilization technologies for power station, mine and other wastes, and dedusting processes in industrial gas streams.« less

Toward High-Efficiency Solution-Processed Planar Heterojunction Sb2S3 Solar Cells.

PubMed

Zimmermann, Eugen; Pfadler, Thomas; Kalb, Julian; Dorman, James A; Sommer, Daniel; Hahn, Giso; Weickert, Jonas; Schmidt-Mende, Lukas

2015-05-01

Low-cost hybrid solar cells have made tremendous steps forward during the past decade owing to the implementation of extremely thin inorganic coatings as absorber layers, typically in combination with organic hole transporters. Using only extremely thin films of these absorbers reduces the requirement of single crystalline high-quality materials and paves the way for low-cost solution processing compatible with roll-to-roll fabrication processes. To date, the most efficient absorber material, except for the recently introduced organic-inorganic lead halide perovskites, has been Sb 2 S 3 , which can be implemented in hybrid photovoltaics using a simple chemical bath deposition. Current high-efficiency Sb 2 S 3 devices utilize absorber coatings on nanostructured TiO 2 electrodes in combination with polymeric hole transporters. This geometry has so far been the state of the art, even though flat junction devices would be conceptually simpler with the additional potential of higher open circuit voltages due to reduced charge carrier recombination. Besides, the role of the hole transporter is not completely clarified yet. In particular, additional photocurrent contribution from the polymers has not been directly shown, which points toward detrimental parasitic light absorption in the polymers. This study presents a fine-tuned chemical bath deposition method that allows fabricating solution-processed low-cost flat junction Sb 2 S 3 solar cells with the highest open circuit voltage reported so far for chemical bath devices and efficiencies exceeding 4%. Characterization of back-illuminated solar cells in combination with transfer matrix-based simulations further allows to address the issue of absorption losses in the hole transport material and outline a pathway toward more efficient future devices.

Potential of powdered activated mustard cake for decolorising raw sugar.

PubMed

Singh, Kaman; Bharose, Ram; Verma, Sudhir Kumar; Singh, Vimalesh Kumar

2013-01-15

Carbon decolorisation has become customary in the food processing industries; however, it is not economical. Extensive research has therefore been directed towards investigating potential substitutes for commercial activated carbons which might have the advantage of offering an effective, lower-cost replacement for existing bone char or coal-based granular activated carbon (GAC). The physical (bulk density and hardness), chemical (pH and mineral content) and adsorption characteristics (iodine test, molasses test and raw sugar decolorisation efficiency) of powdered activated mustard cake (PAMC) made from de-oiled mustard cake were determined and compared to commercial adsorbents. Although the colour removal efficiency of the PAMC is lower than that of commercial materials, it is cost effective and eco-friendly compared to the existing decolorisation/refining processes. To reduce the load on GAC/activated carbon/charcoal, PAMC could be used on an industrial scale. A decolorisation mechanism has been postulated on the basis of oxygen surface functionalities and surface charge of the PAMC and, accordingly, charge transfer interaction seems to be responsible for the decolorisation mechanism. In addition, a complex interplay of electrostatics and dispersive interaction seem to be involved during the decolorisation process. A low-cost agricultural waste product in the form of de-oiled mustard cake was converted to an efficient adsorbent, PAMC, for use in decolorising raw as well as coloured sugar solutions. The physical, chemical, adsorption characteristics and raw sugar decolorisation efficiency of PAMC were determined and compared to those of commercial adsorbents. The colour removal efficiency of the PAMC is lower than that of commercial materials but it is cost effective and eco-friendly as compared to existing decolorisation/refining processes. The availability of the raw material for the production of PAMC further demands its use on an industrial scale. Copyright © 2012 Society of Chemical Industry.

Enhancing the functional and economical efficiency of a novel combined thermo chemical disperser disintegration of waste activated sludge for biogas production.

PubMed

Kavitha, S; Jayashree, C; Adish Kumar, S; Kaliappan, S; Rajesh Banu, J

2014-12-01

In this investigation, an effort was made to pretreat surplus waste activated sludge (WAS) inexpensively by a novel combined process involving thermo chemical disperser pretreatment. This pretreatment was found to be efficient at a specific energy (SE) consumption of 3360.94 kJ/kg TS, with the chemical oxygen demand (COD) solubilization of 20%. This was comparatively higher than thermo chemically treated sludge where the solubilization was found to be 15.5% at a specific energy consumption of 10,330 kJ/kg TS respectively. Higher production of volatile fatty acids (VFA) (675 mg/L) in anaerobic fermentation of pretreated WAS indicates better hydrolysis performance. The biogas production potential of sludge pretreated through this combined technique was found to be 0.455 (L/gVS) and comparatively higher than thermo chemically pretreated sludge. Economic investigation provides 90% net energy savings in this combined pretreatment. Therefore, this combined process was considered to be potentially effective and economical in sludge disintegration. Copyright © 2014 Elsevier Ltd. All rights reserved.

Multiscale Interfacial Strategy to Engineer Mixed Metal-Oxide Anodes toward Enhanced Cycling Efficiency.

PubMed

Ma, Yue; Tai, Cheuk-Wai; Li, Shaowen; Edström, Kristina; Wei, Bingqing

2018-06-13

Interconnected macro/mesoporous structures of mixed metal oxide (MMO) are developed on nickel foam as freestanding anodes for Li-ion batteries. The sustainable production is realized via a wet chemical etching process with bio-friendly chemicals. By means of divalent iron doping during an in situ recrystallization process, the as-developed MMO anodes exhibit enhanced levels of cycling efficiency. Furthermore, this atomic-scale modification coherently synergizes with the encapsulation layer across a micrometer scale. During this step, we develop a quasi-gel-state tri-copolymer, i.e., F127-resorcinol-melamine, as the N-doped carbon source to regulate the interfacial chemistry of the MMO electrodes. Electrochemical tests of the modified Fe x Ni 1- x O@NC-NiF anode in both half-cell and full-cell configurations unravel the favorable suppression of the irreversible capacity loss and satisfactory cyclability at the high rates. This study highlights a proof-of-concept modification strategy across multiple scales to govern the interfacial chemical process of the electrodes toward better reversibility.

Chemical annotation of small and peptide-like molecules at the Protein Data Bank

PubMed Central

Young, Jasmine Y.; Feng, Zukang; Dimitropoulos, Dimitris; Sala, Raul; Westbrook, John; Zhuravleva, Marina; Shao, Chenghua; Quesada, Martha; Peisach, Ezra; Berman, Helen M.

2013-01-01

Over the past decade, the number of polymers and their complexes with small molecules in the Protein Data Bank archive (PDB) has continued to increase significantly. To support scientific advancements and ensure the best quality and completeness of the data files over the next 10 years and beyond, the Worldwide PDB partnership that manages the PDB archive is developing a new deposition and annotation system. This system focuses on efficient data capture across all supported experimental methods. The new deposition and annotation system is composed of four major modules that together support all of the processing requirements for a PDB entry. In this article, we describe one such module called the Chemical Component Annotation Tool. This tool uses information from both the Chemical Component Dictionary and Biologically Interesting molecule Reference Dictionary to aid in annotation. Benchmark studies have shown that the Chemical Component Annotation Tool provides significant improvements in processing efficiency and data quality. Database URL: http://wwpdb.org PMID:24291661

Chemicals from biomass - The U.S. prospects for the turn of the century

NASA Technical Reports Server (NTRS)

Sarbolouki, M. N.; Moacanin, J.

1980-01-01

Historically, chemicals from biomass have been and are expected to be economical in three major areas: byproducts, specialty items and polymers. Assessments of producing major chemicals from biomass in a processing plant based on the available conversion techniques indicate that they are not economically attractive, with the possible exception of conversion to ammonia and ethanol. The deterrents are the heavy capital investments, dependability of raw material supply and transportation costs for large plants, lack of operation experience, inadaptability of market variations, and competition from petroleum and coal. More importantly, it is also shown that even if chemicals from biomass were economical today, the resultant savings in petroleum would be far less than those achieved through other options available for the utilization of biomass as fuel and structural material. Thus, it is concluded that near-term research and development must be toward improved conversion processes, recovery of valuable products from waste streams at existing plants, more efficient use of biomass of energy and more efficient production of superior material products.

Rapid, chemical-free breaking of microfluidic emulsions with a hand-held antistatic gun

PubMed Central

Shahi, Payam; Abate, Adam R.

2017-01-01

Droplet microfluidics can form and process millions of picoliter droplets with speed and ease, allowing the execution of huge numbers of biological reactions for high-throughput studies. However, at the conclusion of most experiments, the emulsions must be broken to recover and analyze their contents. This is usually achieved with demulsifiers, like perfluorooctanol and chloroform, which can interfere with downstream reactions and harm cells. Here, we describe a simple approach to rapidly and efficiently break microfluidic emulsions, which requires no chemicals. Our method allows one-pot multi-step reactions, making it useful for large scale automated processing of reactions requiring demulsification. Using a hand-held antistatic gun, we pulse emulsions with the electric field, coalescing ∼100 μl of droplets in ∼10 s. We show that while emulsions broken with chemical demulsifiers exhibit potent PCR inhibition, the antistatic-broken emulsions amplify efficiently. The ability to break emulsions quickly without chemicals should make our approach valuable for most demulsification needs in microfluidics. PMID:28794817

Vitamin B1-catalyzed acetoin formation from acetaldehyde: a key step for upgrading bioethanol to bulk C₄ chemicals.

PubMed

Lu, Ting; Li, Xiukai; Gu, Liuqun; Zhang, Yugen

2014-09-01

The production of bulk chemicals and fuels from renewable biobased feedstocks is of significant importance for the sustainability of human society. The production of ethanol from biomass has dramatically increased and bioethanol also holds considerable potential as a versatile building block for the chemical industry. Herein, we report a highly selective process for the conversion of ethanol to C4 bulk chemicals, such as 2,3-butanediol and butene, via a vitamin B1 (thiamine)-derived N-heterocyclic carbene (NHC)-catalyzed acetoin condensation as the key step to assemble two C2 acetaldehydes into a C4 product. The environmentally benign and cheap natural catalyst vitamin B1 demonstrates high selectivity (99%), high efficiency (97% yield), and high tolerance toward ethanol and water impurities in the acetoin reaction. The results enable a novel and efficient process for ethanol upgrading. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Influence of oxygen on the chemical stage of radiobiological mechanism

NASA Astrophysics Data System (ADS)

Barilla, Jiří; Lokajíček, Miloš V.; Pisaková, Hana; Simr, Pavel

2016-07-01

The simulation of the chemical stage of radiobiological mechanism may be very helpful in studying the radiobiological effect of ionizing radiation when the water radical clusters formed by the densely ionizing ends of primary or secondary charged particle may form DSBs damaging DNA molecules in living cells. It is possible to study not only the efficiency of individual radicals but also the influence of other species or radiomodifiers (mainly oxygen) being present in water medium during irradiation. The mathematical model based on Continuous Petri nets (proposed by us recently) will be described. It makes it possible to analyze two main processes running at the same time: chemical radical reactions and the diffusion of radical clusters formed during energy transfer. One may study the time change of radical concentrations due to the chemical reactions running during diffusion process. Some orientation results concerning the efficiency of individual radicals in DSB formation (in the case of Co60 radiation) will be presented; the influence of oxygen present in water medium during irradiation will be shown, too.

Chemical annotation of small and peptide-like molecules at the Protein Data Bank.

PubMed

Young, Jasmine Y; Feng, Zukang; Dimitropoulos, Dimitris; Sala, Raul; Westbrook, John; Zhuravleva, Marina; Shao, Chenghua; Quesada, Martha; Peisach, Ezra; Berman, Helen M

2013-01-01

Over the past decade, the number of polymers and their complexes with small molecules in the Protein Data Bank archive (PDB) has continued to increase significantly. To support scientific advancements and ensure the best quality and completeness of the data files over the next 10 years and beyond, the Worldwide PDB partnership that manages the PDB archive is developing a new deposition and annotation system. This system focuses on efficient data capture across all supported experimental methods. The new deposition and annotation system is composed of four major modules that together support all of the processing requirements for a PDB entry. In this article, we describe one such module called the Chemical Component Annotation Tool. This tool uses information from both the Chemical Component Dictionary and Biologically Interesting molecule Reference Dictionary to aid in annotation. Benchmark studies have shown that the Chemical Component Annotation Tool provides significant improvements in processing efficiency and data quality. Database URL: http://wwpdb.org.

Comparative Assessment of Gasification Based Coal Power Plants with Various CO2 Capture Technologies Producing Electricity and Hydrogen

PubMed Central

2014-01-01

Seven different types of gasification-based coal conversion processes for producing mainly electricity and in some cases hydrogen (H2), with and without carbon dioxide (CO2) capture, were compared on a consistent basis through simulation studies. The flowsheet for each process was developed in a chemical process simulation tool “Aspen Plus”. The pressure swing adsorption (PSA), physical absorption (Selexol), and chemical looping combustion (CLC) technologies were separately analyzed for processes with CO2 capture. The performances of the above three capture technologies were compared with respect to energetic and exergetic efficiencies, and the level of CO2 emission. The effect of air separation unit (ASU) and gas turbine (GT) integration on the power output of all the CO2 capture cases is assessed. Sensitivity analysis was carried out for the CLC process (electricity-only case) to examine the effect of temperature and water-cooling of the air reactor on the overall efficiency of the process. The results show that, when only electricity production in considered, the case using CLC technology has an electrical efficiency 1.3% and 2.3% higher than the PSA and Selexol based cases, respectively. The CLC based process achieves an overall CO2 capture efficiency of 99.9% in contrast to 89.9% for PSA and 93.5% for Selexol based processes. The overall efficiency of the CLC case for combined electricity and H2 production is marginally higher (by 0.3%) than Selexol and lower (by 0.6%) than PSA cases. The integration between the ASU and GT units benefits all three technologies in terms of electrical efficiency. Furthermore, our results suggest that it is favorable to operate the air reactor of the CLC process at higher temperatures with excess air supply in order to achieve higher power efficiency. PMID:24578590

Comparative Assessment of Gasification Based Coal Power Plants with Various CO2 Capture Technologies Producing Electricity and Hydrogen.

PubMed

Mukherjee, Sanjay; Kumar, Prashant; Hosseini, Ali; Yang, Aidong; Fennell, Paul

2014-02-20

Seven different types of gasification-based coal conversion processes for producing mainly electricity and in some cases hydrogen (H 2 ), with and without carbon dioxide (CO 2 ) capture, were compared on a consistent basis through simulation studies. The flowsheet for each process was developed in a chemical process simulation tool "Aspen Plus". The pressure swing adsorption (PSA), physical absorption (Selexol), and chemical looping combustion (CLC) technologies were separately analyzed for processes with CO 2 capture. The performances of the above three capture technologies were compared with respect to energetic and exergetic efficiencies, and the level of CO 2 emission. The effect of air separation unit (ASU) and gas turbine (GT) integration on the power output of all the CO 2 capture cases is assessed. Sensitivity analysis was carried out for the CLC process (electricity-only case) to examine the effect of temperature and water-cooling of the air reactor on the overall efficiency of the process. The results show that, when only electricity production in considered, the case using CLC technology has an electrical efficiency 1.3% and 2.3% higher than the PSA and Selexol based cases, respectively. The CLC based process achieves an overall CO 2 capture efficiency of 99.9% in contrast to 89.9% for PSA and 93.5% for Selexol based processes. The overall efficiency of the CLC case for combined electricity and H 2 production is marginally higher (by 0.3%) than Selexol and lower (by 0.6%) than PSA cases. The integration between the ASU and GT units benefits all three technologies in terms of electrical efficiency. Furthermore, our results suggest that it is favorable to operate the air reactor of the CLC process at higher temperatures with excess air supply in order to achieve higher power efficiency.

Numerical investigation of the staged gasification of wet wood

NASA Astrophysics Data System (ADS)

Donskoi, I. G.; Kozlov, A. N.; Svishchev, D. A.; Shamanskii, V. A.

2017-04-01

Gasification of wooden biomass makes it possible to utilize forestry wastes and agricultural residues for generation of heat and power in isolated small-scale power systems. In spite of the availability of a huge amount of cheap biomass, the implementation of the gasification process is impeded by formation of tar products and poor thermal stability of the process. These factors reduce the competitiveness of gasification as compared with alternative technologies. The use of staged technologies enables certain disadvantages of conventional processes to be avoided. One of the previously proposed staged processes is investigated in this paper. For this purpose, mathematical models were developed for individual stages of the process, such as pyrolysis, pyrolysis gas combustion, and semicoke gasification. The effect of controlling parameters on the efficiency of fuel conversion into combustible gases is studied numerically using these models. For the controlling parameter are selected heat inputted into a pyrolysis reactor, the excess of oxidizer during gas combustion, and the wood moisture content. The process efficiency criterion is the gasification chemical efficiency accounting for the input of external heat (used for fuel drying and pyrolysis). The generated regime diagrams represent the gasification efficiency as a function of controlling parameters. Modeling results demonstrate that an increase in the fraction of heat supplied from an external source can result in an adequate efficiency of the wood gasification through the use of steam generated during drying. There are regions where it is feasible to perform incomplete combustion of the pyrolysis gas prior to the gasification. The calculated chemical efficiency of the staged gasification is as high as 80-85%, which is 10-20% higher that in conventional single-stage processes.

Reduced product yield in chemical processes by second law effects

NASA Technical Reports Server (NTRS)

England, C.; Funk, J. E.

1980-01-01

An analysis of second law effects in chemical processes, where product yield is explicitly related to the individual irreversibilities within the process to indicate a maximum theoretical yield, is presented. Examples are given that indicate differences between first and second law approaches toward process efficiency and process yield. This analysis also expresses production capacity in terms of the heating value of a product. As a result, it is particularly convenient in analyzing fuel conversion plants and their potential for improvement. Relationships are also given for the effects of irreversibilities on requirements for process heat and for feedstocks.

Autism and Phthalate Metabolite Glucuronidation

ERIC Educational Resources Information Center

Stein, T. Peter; Schluter, Margaret D.; Steer, Robert A.; Ming, Xue

2013-01-01

Exposure to environmental chemicals may precipitate autism spectrum disorders (ASD) in genetically susceptible children. Differences in the efficiency of the glucuronidation process may substantially modulate substrate concentrations and effects. To determine whether the efficiency of this pathway is compromised in children with ASD, we measured…

Influence of surface coverage on the chemical desorption process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Minissale, M.; Dulieu, F., E-mail: francois.dulieu@obspm.fr

2014-07-07

In cold astrophysical environments, some molecules are observed in the gas phase whereas they should have been depleted, frozen on dust grains. In order to solve this problem, astrochemists have proposed that a fraction of molecules synthesized on the surface of dust grains could desorb just after their formation. Recently the chemical desorption process has been demonstrated experimentally, but the key parameters at play have not yet been fully understood. In this article, we propose a new procedure to analyze the ratio of di-oxygen and ozone synthesized after O atoms adsorption on oxidized graphite. We demonstrate that the chemical desorptionmore » efficiency of the two reaction paths (O+O and O+O{sub 2}) is different by one order of magnitude. We show the importance of the surface coverage: for the O+O reaction, the chemical desorption efficiency is close to 80% at zero coverage and tends to zero at one monolayer coverage. The coverage dependence of O+O chemical desorption is proved by varying the amount of pre-adsorbed N{sub 2} on the substrate from 0 to 1.5 ML. Finally, we discuss the relevance of the different physical parameters that could play a role in the chemical desorption process: binding energy, enthalpy of formation, and energy transfer from the new molecule to the surface or to other adsorbates.« less

Identifying the influential aquifer heterogeneity factor on nitrate reduction processes by numerical simulation

NASA Astrophysics Data System (ADS)

Jang, E.; He, W.; Savoy, H.; Dietrich, P.; Kolditz, O.; Rubin, Y.; Schüth, C.; Kalbacher, T.

2017-01-01

Nitrate reduction reactions in groundwater systems are strongly influenced by various aquifer heterogeneity factors that affect the transport of chemical species, spatial distribution of redox reactive substances and, as a result, the overall nitrate reduction efficiency. In this study, we investigated the influence of physical and chemical aquifer heterogeneity, with a focus on nitrate transport and redox transformation processes. A numerical modeling study for simulating coupled hydrological-geochemical aquifer heterogeneity was conducted in order to improve our understanding of the influence of the aquifer heterogeneity on the nitrate reduction reactions and to identify the most influential aquifer heterogeneity factors throughout the simulation. Results show that the most influential aquifer heterogeneity factors could change over time. With abundant presence of electron donors in the high permeable zones (initial stage), physical aquifer heterogeneity significantly influences the nitrate reduction since it enables the preferential transport of nitrate to these zones and enhances mixing of reactive partners. Chemical aquifer heterogeneity plays a comparatively minor role. Increasing the spatial variability of the hydraulic conductivity also increases the nitrate removal efficiency of the system. However, ignoring chemical aquifer heterogeneity can lead to an underestimation of nitrate removals in long-term behavior. With the increase of the spatial variability of the electron donor, i.e. chemical heterogeneity, the number of the ;hot spots; i.e. zones with comparably higher reactivity, should also increase. Hence, nitrate removal efficiencies will also be spatially variable but overall removal efficiency will be sustained if longer time scales are considered and nitrate fronts reach these high reactivity zones.

An efficient laboratory workflow for environmental risk assessment of organic chemicals.

PubMed

Zhu, Linyan; Santiago-Schübel, Beatrix; Xiao, Hongxia; Thiele, Björn; Zhu, Zhiliang; Qiu, Yanling; Hollert, Henner; Küppers, Stephan

2015-07-01

In this study, we demonstrate a fast and efficient workflow to investigate the transformation mechanism of organic chemicals and evaluate the toxicity of their transformation products (TPs) in laboratory scale. The transformation process of organic chemicals was first simulated by electrochemistry coupled online to mass spectrometry (EC-MS). The simulated reactions were scaled up in a batch EC reactor to receive larger amounts of a reaction mixture. The mixture sample was purified and concentrated by solid phase extraction (SPE) for the further ecotoxicological testing. The combined toxicity of the reaction mixture was evaluated in fish egg test (FET) (Danio rerio) compared to the parent compound. The workflow was verified with carbamazepine (CBZ). By using EC-MS seven primary TPs of CBZ were identified; the degradation mechanism was elucidated and confirmed by comparison to literature. The reaction mixture and one primary product (acridine) showed higher ecotoxicity in fish egg assay with 96 h EC50 values of 1.6 and 1.0 mg L(-1) than CBZ with the value of 60.8 mg L(-1). The results highlight the importance of transformation mechanism study and toxicological effect evaluation for organic chemicals brought into the environment since transformation of them may increase the toxicity. The developed process contributes a fast and efficient laboratory method for the risk assessment of organic chemicals and their TPs. Copyright © 2015 Elsevier Ltd. All rights reserved.

Chemically-modified cellulose paper as a microstructured catalytic reactor.

PubMed

Koga, Hirotaka; Kitaoka, Takuya; Isogai, Akira

2015-01-15

We discuss the successful use of chemically-modified cellulose paper as a microstructured catalytic reactor for the production of useful chemicals. The chemical modification of cellulose paper was achieved using a silane-coupling technique. Amine-modified paper was directly used as a base catalyst for the Knoevenagel condensation reaction. Methacrylate-modified paper was used for the immobilization of lipase and then in nonaqueous transesterification processes. These catalytic paper materials offer high reaction efficiencies and have excellent practical properties. We suggest that the paper-specific interconnected microstructure with pulp fiber networks provides fast mixing of the reactants and efficient transport of the reactants to the catalytically-active sites. This concept is expected to be a promising route to green and sustainable chemistry.

Plasma for environment

NASA Astrophysics Data System (ADS)

Van Oost, G.

2017-11-01

Human activity is associated with the permanent emergence of a very wide range of waste streams. The most widely used treatment of waste is thermal processing such as incineration. An alternative environmentally friendly process is based on thermal plasma technology which is a very flexible tool because it allows to operate in a wide temperature range with almost any chemical composition of waste and chemicals needed for processing this waste, and to convert organic waste into energy or chemical substances as well as to destroy toxic organic compounds, and to vitrify radioactive waste in a scenario that for each specific type of waste can be considered optimal, both in terms of energy efficiency and environmental safety.

Plasma for environment

NASA Astrophysics Data System (ADS)

Van Oost, G.

2017-12-01

Human activity is associated with the permanent emergence of a very wide range of waste streams. The most widely used treatment of waste is thermal processing such as incineration. An alternative environmentally friendly process is based on thermal plasma technology which is a very flexible tool because it allows to operate in a wide temperature range with almost any chemical composition of waste and chemicals needed for processing this waste. It allows the conversion of organic waste into energy or chemical substances as well as the destruction of toxic organic compounds in a scenario that for each specific type of waste can be considered optimal, both in terms of energy efficiency and environmental safety.

Identification of nodes and internodes of chopped biomass stems by Image analysis

USDA-ARS?s Scientific Manuscript database

Separating the morphological components of biomass leads to better handling, more efficient processing as well as value added product generation, as these components vary in their chemical composition and can be preferentially utilized. Nodes and internodes of biomass stems have distinct chemical co...

The Virtual Liver Project: Simulating Tissue Injury Through Molecular and Cellular Processes

EPA Science Inventory

Efficiently and humanely testing the safety of thousands of environmental chemicals is a challenge. The US EPA Virtual Liver Project (v-Liver™) is aimed at simulating the effects of environmental chemicals computationally in order to estimate the risk of toxic outcomes in humans...

Hybrid MF and membrane bioreactor process applied towards water and indigo reuse from denim textile wastewater.

PubMed

Couto, Carolina Fonseca; Marques, Larissa Silva; Balmant, Janine; de Oliveira Maia, Andreza Penido; Moravia, Wagner Guadagnin; Santos Amaral, Miriam Cristina

2018-03-01

This work investigates the application of a microfiltration (MF)-membrane bioreactor (MBR) hybrid process for textile dyeing process wastewater reclamation. The indigo blue dye was efficiently retained by the MF membrane (100%), which allows its recovery from the concentrate stream. MF promotes 100% of colour removal, and reduces the chemical oxygen demand (COD) and conductivity by about 65% and 25%, respectively, and improves the wastewater biodegradability. MF flux decline was mostly attributed to concentration polarization and the chemical cleaning was efficient enough to recover initial hydraulic resistance. The MBR provides to be a stable process maintaining its COD and ammonia removal efficiency (73% and 100%, respectively) mostly constant throughout and producing a permeate that meets the reuse criteria for some industry activities, such as washing-off and equipment washdown. The use of an MF or ultrafiltration (UF) membrane in the MBR does not impact the MBR performance in terms of COD removal. Although the membrane of MBR-UF shows permeability lower than MBR-MF membrane, the UF membrane contributes to a more stable operation in terms of permeability.

Eco-Efficiency Analysis of biotechnological processes.

PubMed

Saling, Peter

2005-07-01

Eco-Efficiency has been variously defined and analytically implemented by several workers. In most cases, Eco-Efficiency is taken to mean the ecological optimization of overall systems while not disregarding economic factors. Eco-Efficiency should increase the positive ecological performance of a commercial company in relation to economic value creation--or to reduce negative effects. Several companies use Eco-Efficiency Analysis for decision-making processes; and industrial examples of best practices in developing and implementing Eco-Efficiency have been reviewed. They clearly demonstrate the environmental and business benefits of Eco-Efficiency. An instrument for the early recognition and systematic detection of economic and environmental opportunities and risks for production processes in the chemical industry began use in 1997, since when different new features have been developed, leading to many examples. This powerful Eco-Efficiency Analysis allows a feasibility evaluation of existing and future business activities and is applied by BASF. In many cases, decision-makers are able to choose among alternative processes for making a product.

Surface etching technologies for monocrystalline silicon wafer solar cells

NASA Astrophysics Data System (ADS)

Tang, Muzhi

With more than 200 GW of accumulated installations in 2015, photovoltaics (PV) has become an important green energy harvesting method. The PV market is dominated by solar cells made from crystalline silicon wafers. The engineering of the wafer surfaces is critical to the solar cell cost reduction and performance enhancement. Therefore, this thesis focuses on the development of surface etching technologies for monocrystalline silicon wafer solar cells. It aims to develop a more efficient alkaline texturing method and more effective surface cleaning processes. Firstly, a rapid, isopropanol alcohol free texturing method is successfully demonstrated to shorten the process time and reduce the consumption of chemicals. This method utilizes the special chemical properties of triethylamine, which can form Si-N bonds with wafer surface atoms. Secondly, a room-temperature anisotropic emitter etch-back process is developed to improve the n+ emitter passivation. Using this method, 19.0% efficient screen-printed aluminium back surface field solar cells are developed that show an efficiency gain of 0.15% (absolute) compared with conventionally made solar cells. Finally, state-of-the-art silicon surface passivation results are achieved using hydrogen plasma etching as a dry alternative to the classical hydrofluoric acid wet-chemical process. The effective native oxide removal and the hydrogenation of the silicon surface are shown to be the reasons for the excellent level of surface passivation achieved with this novel method.

Energy conversion and storage program

NASA Astrophysics Data System (ADS)

Cairns, E. J.

1992-03-01

The Energy Conversion and Storage Program applies chemistry and materials science principles to solve problems in: (1) production of new synthetic fuels; (2) development of high-performance rechargeable batteries and fuel cells; (3) development of advanced thermochemical processes for energy conversion; (4) characterization of complex chemical processes; and (5) application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry research aims to develop advanced power systems for electric vehicle and stationary energy storage applications. Topics include identification of new electrochemical couples for advanced rechargeable batteries, improvements in battery and fuel-cell materials, and the establishment of engineering principles applicable to electrochemical energy storage and conversion. Chemical Applications research includes topics such as separations, catalysis, fuels, and chemical analyses. Included in this program area are projects to develop improved, energy-efficient methods for processing waste streams from synfuel plants and coal gasifiers. Other research projects seek to identify and characterize the constituents of liquid fuel-system streams and to devise energy-efficient means for their separation. Materials Applications research includes the evaluation of the properties of advanced materials, as well as the development of novel preparation techniques. For example, the use of advanced techniques, such as sputtering and laser ablation, are being used to produce high-temperature superconducting films.

Engineering Methane and Carbon Dioxide Pathways to Turn Renewable Biogas into Higher-Value Chemicals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Greenfield, Derek; Helman, Noah; Clarke, Elizabeth

The United States has a critical need for green manufacturing technologies that can produce a wide range of renewable products at low cost. Industrial Microbes develops biological processes that produce renewable chemicals from organic waste streams. The target chemical for this Phase I project is used to make paints, coatings, and polymers for a multi-billion-dollar market. In addition to the benefits from its green process, the company estimates that the new manufacturing process described here will result in 20-40% cost savings when used at commercial scale. This is possible because the company’s process utilizes waste biogas, an inexpensive feedstock, andmore » is highly efficient: the only byproduct is clean water. For this Phase I project, Industrial Microbes successfully built an enzyme pathway that solves the most difficult challenges of converting biogas into the target chemical. These challenges include the conversion of methane into soluble methanol; the identification of highly-active enzymes; and the production of the target chemical. The company has also completed proof-of-concept by demonstrating that its production strain can utilize raw biogas from a wastewater treatment plant. Achieving these goals required several breakthroughs in transferring enzymes from exotic microorganisms into a commercial one, used commonly for industrial-scale production. In Phase II, Industrial Microbes will work toward commercializing this process by improving carbon efficiency and speed of chemical production. Organic waste streams such as biogas are an underutilized source of renewable carbon and energy; efficient use of such waste streams will reduce the United States’ reliance on petroleum and lower greenhouse gas emissions. The process described here is one of few industrial processes that can convert biogas into commodity products, rather than burning it for energy. If renewable products can be made from biogas economically, companies and governments will find it attractive to collect organic waste streams for biogas production. This can prevent waste from ending up in landfills, where it breaks down into the greenhouse gases methane and carbon dioxide: landfills emit the equivalent greenhouse gases of 35 million cars every year. New uses of biogas will also help lower costs for making carbon-neutral biofuels, since biofuel production also generates waste that can be turned into biogas.« less

A novel eco-friendly technique for efficient control of lime water softening process.

PubMed

Ostovar, Mohamad; Amiri, Mohamad

2013-12-01

Lime softening is an established type of water treatment used for water softening. The performance of this process is highly dependent on lime dosage. Currently, lime dosage is adjusted manually based on chemical tests, aimed at maintaining the phenolphthalein (P) and total (M) alkalinities within a certain range (2 P - M > or = 5). In this paper, a critical study of the softening process has been presented. It has been shown that the current method is frequently incorrect. Furthermore, electrical conductivity (EC) has been introduced as a novel indicator for effectively characterizing the lime softening process.This novel technique has several advantages over the current alkalinities method. Because no chemical reagents are needed for titration, which is a simple test, there is a considerable reduction in test costs. Additionally, there is a reduction in the treated water hardness and generated sludge during the lime softening process. Therefore, it is highly eco-friendly, and is a very cost effective alternative technique for efficient control of the lime softening process.

Catalytic amino acid production from biomass-derived intermediates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deng, Weiping; Wang, Yunzhu; Zhang, Sui

Amino acids are the building blocks for protein biosynthesis and find use in myriad industrial applications including in food for humans, in animal feed, and as precursors for bio-based plastics, among others. However, the development of efficient chemical methods to convert abundant and renewable feedstocks into amino acids has been largely unsuccessful to date. To that end, here we report a heterogeneous catalyst that directly transforms lignocellulosic biomass-derived a-hydroxyl acids into a-amino acids, including alanine, leucine, valine, aspartic acid, and phenylalanine in high yields. The reaction follows a dehydrogenation-reductive amination pathway, with dehydrogenation as the rate-determining step. Ruthenium nanoparticles supportedmore » on carbon nanotubes (Ru/CNT) exhibit exceptional efficiency compared with catalysts based on other metals, due to the unique, reversible enhancement effect of NH 3 on Ru in dehydrogenation. Based on the catalytic system, a two-step chemical process was designed to convert glucose into alanine in 43% yield, comparable with the well-established microbial cultivation process, and therefore, the present strategy enables a route for the production of amino acids from renewable feedstocks. Moreover, a conceptual process design employing membrane distillation to facilitate product purification is proposed and validated. Overall, this study offers a rapid and potentially more efficient chemical method to produce amino acids from woody biomass components.« less

Catalytic amino acid production from biomass-derived intermediates

PubMed Central

Deng, Weiping; Zhang, Sui; Gupta, Krishna M.; Hülsey, Max J.; Asakura, Hiroyuki; Liu, Lingmei; Han, Yu; Karp, Eric M.; Jiang, Jianwen; Tanaka, Tsunehiro; Wang, Ye

2018-01-01

Amino acids are the building blocks for protein biosynthesis and find use in myriad industrial applications including in food for humans, in animal feed, and as precursors for bio-based plastics, among others. However, the development of efficient chemical methods to convert abundant and renewable feedstocks into amino acids has been largely unsuccessful to date. To that end, here we report a heterogeneous catalyst that directly transforms lignocellulosic biomass-derived α-hydroxyl acids into α-amino acids, including alanine, leucine, valine, aspartic acid, and phenylalanine in high yields. The reaction follows a dehydrogenation-reductive amination pathway, with dehydrogenation as the rate-determining step. Ruthenium nanoparticles supported on carbon nanotubes (Ru/CNT) exhibit exceptional efficiency compared with catalysts based on other metals, due to the unique, reversible enhancement effect of NH3 on Ru in dehydrogenation. Based on the catalytic system, a two-step chemical process was designed to convert glucose into alanine in 43% yield, comparable with the well-established microbial cultivation process, and therefore, the present strategy enables a route for the production of amino acids from renewable feedstocks. Moreover, a conceptual process design employing membrane distillation to facilitate product purification is proposed and validated. Overall, this study offers a rapid and potentially more efficient chemical method to produce amino acids from woody biomass components. PMID:29712826

Catalytic amino acid production from biomass-derived intermediates

DOE PAGES

Deng, Weiping; Wang, Yunzhu; Zhang, Sui; ...

2018-04-30

Amino acids are the building blocks for protein biosynthesis and find use in myriad industrial applications including in food for humans, in animal feed, and as precursors for bio-based plastics, among others. However, the development of efficient chemical methods to convert abundant and renewable feedstocks into amino acids has been largely unsuccessful to date. To that end, here we report a heterogeneous catalyst that directly transforms lignocellulosic biomass-derived a-hydroxyl acids into a-amino acids, including alanine, leucine, valine, aspartic acid, and phenylalanine in high yields. The reaction follows a dehydrogenation-reductive amination pathway, with dehydrogenation as the rate-determining step. Ruthenium nanoparticles supportedmore » on carbon nanotubes (Ru/CNT) exhibit exceptional efficiency compared with catalysts based on other metals, due to the unique, reversible enhancement effect of NH 3 on Ru in dehydrogenation. Based on the catalytic system, a two-step chemical process was designed to convert glucose into alanine in 43% yield, comparable with the well-established microbial cultivation process, and therefore, the present strategy enables a route for the production of amino acids from renewable feedstocks. Moreover, a conceptual process design employing membrane distillation to facilitate product purification is proposed and validated. Overall, this study offers a rapid and potentially more efficient chemical method to produce amino acids from woody biomass components.« less

Membrane processes for alcohol-water separation: Improving the energy efficiency of biofuel production

EPA Science Inventory

The economics and environmental impact of producing fuels and chemicals biologically can be a strong function of the efficiency with which the fermentation products are removed from the biological media. Due to growth inhibition by some fermentation products, including ethanol an...

Efficient high-throughput biological process characterization: Definitive screening design with the ambr250 bioreactor system.

PubMed

Tai, Mitchell; Ly, Amanda; Leung, Inne; Nayar, Gautam

2015-01-01

The burgeoning pipeline for new biologic drugs has increased the need for high-throughput process characterization to efficiently use process development resources. Breakthroughs in highly automated and parallelized upstream process development have led to technologies such as the 250-mL automated mini bioreactor (ambr250™) system. Furthermore, developments in modern design of experiments (DoE) have promoted the use of definitive screening design (DSD) as an efficient method to combine factor screening and characterization. Here we utilize the 24-bioreactor ambr250™ system with 10-factor DSD to demonstrate a systematic experimental workflow to efficiently characterize an Escherichia coli (E. coli) fermentation process for recombinant protein production. The generated process model is further validated by laboratory-scale experiments and shows how the strategy is useful for quality by design (QbD) approaches to control strategies for late-stage characterization. © 2015 American Institute of Chemical Engineers.

ENVIRONMENTALLY FRIENDLIER ALTERNATIVES TO ORGANIC SYNTHESES

EPA Science Inventory

An overview of the research activity at the USEPA AWBERC Research Center in general and the Sustainable Technology Division with specific reference to clean process development will be presented. Several examples of clean and efficient chemical processes will be highlighted that ...

Processing on high efficiency solar collector coatings

NASA Technical Reports Server (NTRS)

Roberts, M.

1977-01-01

Wavelength selective coatings for solar collectors are considered. Substrates with good infrared reflectivity were examined along with their susceptibility to physical and environmental damage. Improvements of reflective surfaces were accomplished through buffing, chemical polishing and other surface processing methods.

Chemical and Morphological Control of Interfacial Self-Doping for Efficient Organic Electronics.

PubMed

Liu, Yao; Cole, Marcus D; Jiang, Yufeng; Kim, Paul Y; Nordlund, Dennis; Emrick, Todd; Russell, Thomas P

2018-04-01

Solution-based processing of materials for electrical doping of organic semiconductor interfaces is attractive for boosting the efficiency of organic electronic devices with multilayer structures. To simplify this process, self-doping perylene diimide (PDI)-based ionene polymers are synthesized, in which the semiconductor PDI components are embedded together with electrolyte dopants in the polymer backbone. Functionality contained within the PDI monomers suppresses their aggregation, affording self-doping interlayers with controllable thickness when processed from solution into organic photovoltaic devices (OPVs). Optimal results for interfacial self-doping lead to increased power conversion efficiencies (PCEs) of the fullerene-based OPVs, from 2.62% to 10.64%, and of the nonfullerene-based OPVs, from 3.34% to 10.59%. These PDI-ionene interlayers enable chemical and morphological control of interfacial doping and conductivity, demonstrating that the conductive channels are crucial for charge transport in doped organic semiconductor films. Using these novel interlayers with efficient doping and high conductivity, both fullerene- and nonfullerene-based OPVs are achieved with PCEs exceeding 9% over interlayer thicknesses ranging from ≈3 to 40 nm. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical Looping Technology: Oxygen Carrier Characteristics.

PubMed

Luo, Siwei; Zeng, Liang; Fan, Liang-Shih

2015-01-01

Chemical looping processes are characterized as promising carbonaceous fuel conversion technologies with the advantages of manageable CO2 capture and high energy conversion efficiency. Depending on the chemical looping reaction products generated, chemical looping technologies generally can be grouped into two types: chemical looping full oxidation (CLFO) and chemical looping partial oxidation (CLPO). In CLFO, carbonaceous fuels are fully oxidized to CO2 and H2O, as typically represented by chemical looping combustion with electricity as the primary product. In CLPO, however, carbonaceous fuels are partially oxidized, as typically represented by chemical looping gasification with syngas or hydrogen as the primary product. Both CLFO and CLPO share similar operational features; however, the optimum process configurations and the specific oxygen carriers used between them can vary significantly. Progress in both CLFO and CLPO is reviewed and analyzed with specific focus on oxygen carrier developments that characterize these technologies.

Utility of adsorbents in the purification of drinking water: a review of characterization, efficiency and safety evaluation of various adsorbents.

PubMed

Dubey, Shashi Prabha; Gopal, Krishna; Bersillon, J L

2009-05-01

Clean drinking water is one of the implicit requisites fora healthy human population. However the growing industrialization and extensive use of chemicals for various concerns, has increased the burden of unwanted pollutants in the drinking water of developing countries like India. The entry of potentially hazardous substances into the biota has been magnifying day by day. In the absence of a possible stoppage of these, otherwise, useful chemicals, the only way to maintain safer water bodies is to develop efficient purifying technologies. One such immensely beneficial procedure that has been in use is that of purification of water using 'adsorbents'. Indigenous minerals and natural plants products have potential for removing many pollutants viz. fluoride, arsenic, nitrate, heavy metals, pesticides as well as trihalomethanes. Adsorbents which are derived from carbon, alumina, zeolite, clay minerals, iron ores, industrial by products, and natural products viz. parts of the plants, herbs and algal biomass offer promising potential of removal. In the recent years attention has been paid to develop process involving screening/pretreatment/activation/impregnation using alkalies, acids, alum, lime, manganese dioxide, ferric chloride and other chemicals which are found to enhance their adsorbing efficiency. Chemical characterization of these adsorbents recapitulates the mechanism of the process. It is imperative to observe that capacities of the adsorbents may vary depending on the characteristics, chemical modifications and concentration of the individual adsorbent. Removal kinetics is found to be based on the experimental conditions viz. pH, concentration of the adsorbate, quantity of the adsorbent and temperature. It is suggested that isotherm model is suitable tool to assess the adsorption capacities in batch and column modes. Safety evaluation and risk assessment of the process/products may be useful to provide guidelines for its sustainable disposal.

Active biopolymers in green non-conventional media: a sustainable tool for developing clean chemical processes.

PubMed

Lozano, Pedro; Bernal, Juana M; Nieto, Susana; Gomez, Celia; Garcia-Verdugo, Eduardo; Luis, Santiago V

2015-12-21

The greenness of chemical processes turns around two main axes: the selectivity of catalytic transformations, and the separation of pure products. The transfer of the exquisite catalytic efficiency shown by enzymes in nature to chemical processes is an important challenge. By using appropriate reaction systems, the combination of biopolymers with supercritical carbon dioxide (scCO2) and ionic liquids (ILs) resulted in synergetic and outstanding platforms for developing (multi)catalytic green chemical processes, even under flow conditions. The stabilization of biocatalysts, together with the design of straightforward approaches for separation of pure products including the full recovery and reuse of enzymes/ILs systems, are essential elements for developing clean chemical processes. By understanding structure-function relationships of biopolymers in ILs, as well as for ILs themselves (e.g. sponge-like ionic liquids, SLILs; supported ionic liquids-like phases, SILLPs, etc.), several integral green chemical processes of (bio)catalytic transformation and pure product separation are pointed out (e.g. the biocatalytic production of biodiesel in SLILs, etc.). Other developments based on DNA/ILs systems, as pathfinder studies for further technological applications in the near future, are also considered.

Energy and Environment Division, annual report FY 1980

DOE Office of Scientific and Technical Information (OSTI.GOV)

Osowitt, M.

1981-07-01

This report covers research in: energy analysis; energy efficiency studies; solar energy; chemical process; energy-efficient buildings; environmental pollutant studies; combustion research; laser spectroscopy and trace elements; and oil shale and coal research. An energy and environment personnel listing is appended. Separate projects are indexed individually for the database. (PSB)

Large improvement of phosphorus incorporation efficiency in n-type chemical vapor deposition of diamond

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ohtani, Ryota; Yamamoto, Takashi; Janssens, Stoffel D.

2014-12-08

Microwave plasma enhanced chemical vapor deposition is a promising way to generate n-type, e.g., phosphorus-doped, diamond layers for the fabrication of electronic components, which can operate at extreme conditions. However, a deeper understanding of the doping process is lacking and low phosphorus incorporation efficiencies are generally observed. In this work, it is shown that systematically changing the internal design of a non-commercial chemical vapor deposition chamber, used to grow diamond layers, leads to a large increase of the phosphorus doping efficiency in diamond, produced in this device, without compromising its electronic properties. Compared to the initial reactor design, the dopingmore » efficiency is about 100 times higher, reaching 10%, and for a very broad doping range, the doping efficiency remains highly constant. It is hypothesized that redesigning the deposition chamber generates a higher flow of active phosphorus species towards the substrate, thereby increasing phosphorus incorporation in diamond and reducing deposition of phosphorus species at reactor walls, which additionally reduces undesirable memory effects.« less

Self-assembled lipid bilayer materials

DOEpatents

Sasaki, Darryl Y.; Waggoner, Tina A.; Last, Julie A.

2005-11-08

The present invention is a self-assembling material comprised of stacks of lipid bilayers formed in a columnar structure, where the assembly process is mediated and regulated by chemical recognition events. The material, through the chemical recognition interactions, has a self-regulating system that corrects the radial size of the assembly creating a uniform diameter throughout most of the structure. The materials form and are stable in aqueous solution. These materials are useful as structural elements for the architecture of materials and components in nanotechnology, efficient light harvesting systems for optical sensing, chemical processing centers, and drug delivery vehicles.

Evaluating energy efficient strategies and product quality for distillers' dried grains with solubles (DDGS) in dry-grind ethanol plants

NASA Astrophysics Data System (ADS)

Lan, Tian

The drying of distillers dried grains with solubles (DDGS), a coproduct of dry-grind corn processing to ethanol utilizes about 30% of the total energy required for the production of a liter of fuel ethanol. Therefore, improving DDGS drying energy efficiency could have significant impact on the economics of the dry-grind corn-to-ethanol process. Drying process improvements must take account into the effects of various drying strategies on the final quality of DDGS which is primarily utilized as a feed ingredient. Previous studies in the literature have shown that physical and chemical properties of DDGS vary according to the ratio of the two primarily feed streams, wet distillers grains (WDG) and condensed distillers solubles (CDS) which make up DDGS. Extensive research using plant-scale and bench-scale experiments have been conducted on the effect of process variables (ratios of WDG, CDS and DDGS add-back) during drying on the physical and chemical properties of DDGS. However, these investigations did not correlate the product characteristics data to drying efficiency. Additionally, it cannot be clearly determined from the literature on DDGS drying that processes used in the industry are optimized for both product quality and energy efficiency. A bench-scale rotary drum dryer heated by an electrically powered heat gun was used to investigate the effects of WDG, CDS and add-back ratios on both energy efficiency, drying performance and DDGS physical and chemical properties. A two stage drying process with the bench-scale rotary dryer was used to simulate the drying of DDGS using ICM (ICM, Inc., Colwich, KS) dry-grind process technology for DDGS drying which uses two rotary drum dryers in series. Effects of drying process variables, CDS content (0, 10, 20 and 40% by mass) and percent DDGS add-back (0, 20, 40 and 60% by mass) on energy performance and product quality were determined. Sixteen different drying strategies based on drying process variable ratios were tested and the response variables were measured which included energy performance (specific power consumption, energy efficiency, drying efficiency, drying rate), physical properties [particle size distribution (PSD), geometric mean particle size (dwg), bulk density, tapped bulk density, true density, color, compressibility index (CI), Hausner ratio (HR)], and chemical properties [acid detergent fiber (ADF), neutral detergent fiber (NDF), oil, crude protein, starch, ash, etc]. The results of the bench-scale study were also compared with data from a previous plant-scale DDGS production process investigation that used similar drying strategies. Results from the experiments indicated that among all 16 drying strategies, the 10% CDS content and 60% DDGS add-back strategy achieved the least specific power consumption (SPC) while the 40% CDS content and 20% DDGS add-back strategy had the highest SPC. The energy efficiency and drying efficiency of the bench-scale data in both drying stage I and drying stage II presented similar trends as process parameters changed. The highest energy and drying efficiencies were achieved in strategies with 10% CDS content while the lowest were in strategies with 40% CDS content. A comparison of the energy and drying efficiencies for the bench-scale strategies conducted in this study with those of similar plant-scale strategies from a previous study showed a similar trend in the data for drying stage 1, even though the actual numbers were quite different for the two experimental scales. On average, the energy and drying efficiencies for the bench-scale study was 40% less than the corresponding plant-scale strategy. CDS content had the most influence on the energy performance during DDGS drying, while percent DDGS add-back had more impact on the SPC given a constant CDS content level. By comparing both the physical properties, bulk density in particular which relates to logistics, and energy performance data, the drying strategy with 20% CDS and 60% add-back performed the best. Therefore, it is not surprising why this is the strategy used by ICM drying process technology for DDGS. The particle size (dwg) and particle size distribution (PSD) of DDGS varied with the drying strategies; by varying CDS content and percent DDGS add-back. It was determined that the percent DDGS add-back had no effect on either PSD or dgw. Under the same drying strategy, drying stage I always had a higher drying rate than stage II. Also, the drying curves under the same CDS content showed similar shapes. As CDS content increased, the color of DDGS became darker; both DDGS bulk density and tapped bulk density increased. In addition, CI and HR values decreased, ADF and NDF contents decreased and oil and ash contents increased with increased CDS content. Changes in percent DDGS add-back had a negligible effect on the DDGS chemical composition. Overall, the physical and chemical composition analysis of DDGS for both bench-scale and plant-scale studies followed similar trends.

VOC removal and deodorization of effluent gases from an industrial plant by photo-oxidation, chemical oxidation, and ozonization.

PubMed

Domeño, Celia; Rodríguez-Lafuente, Angel; Martos, J M; Bilbao, Rafael; Nerín, Cristina

2010-04-01

The efficiency of photo-oxidation, chemical oxidation by sodium hypochlorite, and ozonization for the industrial-scale removal of volatile organic compounds (VOCs) and odors from gaseous emissions was studied by applying these treatments (in an experimental system) to substances passing through an emission stack of a factory producing maize derivatives. Absorption and ozonization were the most efficient treatment, removing 75% and 98% of VOCs, respectively, while photo-oxidation only removed about 59%. The emitted chemical compounds and odors were identified and quantified by gas chromatography-mass spectrometry (in full-scan mode). In addition to presenting the results, their implications for selecting optimal processes for treating volatile emissions are discussed.

A case study of coupling upflow anaerobic sludge blanket (UASB) and ANITA™ Mox process to treat high-strength landfill leachate.

PubMed

Lu, Ting; George, Biju; Zhao, Hong; Liu, Wenjun

2016-01-01

A pilot study was conducted to study the treatability of high-strength landfill leachate by a combined process including upflow anaerobic sludge blanket (UASB), carbon removal (C-stage) moving bed biofilm reactor (MBBR) and ANITA™ Mox process. The major innovation on this pilot study is the patent-pending process invented by Veolia that integrates the above three unit processes with an effluent recycle stream, which not only maintains the low hydraulic retention time to enhance the treatment performance but also reduces inhibiting effect from chemicals present in the high-strength leachate. This pilot study has demonstrated that the combined process was capable of treating high-strength leachate with efficient chemical oxygen demand (COD) and nitrogen removals. The COD removal efficiency by the UASB was 93% (from 45,000 to 3,000 mg/L) at a loading rate of 10 kg/(m(3)·d). The C-stage MBBR removed an additional 500 to 1,000 mg/L of COD at a surface removal rate (SRR) of 5 g/(m(2)·d) and precipitated 400 mg/L of calcium. The total inorganic nitrogen removal efficiency by the ANITA Mox reactor was about 70% at SRR of 1.0 g/(m(2)·d).

Impact of the excess sludge modification with selected chemical reagents on the increase of dissolved organic substances concentration compounds transformations in activated sludge.

PubMed

Zawieja, Iwona; Lidia, Wolny; Marta, Próba

2017-07-01

Submission of excess sludge initial disintegration process significantly affects the efficiency of anaerobic stabilization process. Expression of increasing the concentration of organic matter in dissolved form is to increase sludge disintegration. As a result of chemical modification is an increase of the chemical oxygen demand and the concentration of volatile fatty acids. The aim of this study was to determine the impact of the disintegration process with selected chemical reagents to increase the concentration of organic substances in dissolved form. The process of chemical disintegration of excess sludge was treated using the following reagents: Mg(OH) 2 , Ca(OH) 2 , HCl, H 2 SO 4 , H 2 O 2 . The modification was carried out at ambient temperature for 2, 6 and 24h. During sludge disintegration it was noticed the growth of indicators values that confirmed the susceptibility of prepared sludge to biodegradation. Copyright © 2017 Elsevier Inc. All rights reserved.

Towards an improved understanding of processes controlling absorption efficiency and biomagnification of organic chemicals by fish.

PubMed

Xiao, Ruiyang; Arnot, Jon A; MacLeod, Matthew

2015-11-01

Dietary exposure is considered the dominant pathway for fish exposed to persistent, hydrophobic chemicals in the environment. Here we present a dynamic, fugacity-based three-compartment bioaccumulation model that describes the fish body as one compartment and the gastrointestinal tract (GIT) as two compartments. The model simulates uptake from the GIT by passive diffusion and micelle-mediated diffusion, and chemical degradation in the fish and the GIT compartments. We applied the model to a consistent measured dietary uptake and depuration dataset for rainbow trout (n=215) that is comprised of chlorinated benzenes, biphenyls, dioxins, diphenyl ethers, and polycyclic aromatic hydrocarbons (PAHs). Model performance relative to the measured data is statistically similar regardless of whether micelle-mediated diffusion is included; however, there are considerable uncertainties in modeling this process. When degradation in the GIT is assumed to be negligible, modeled chemical elimination rates are similar to measured rates; however, predicted concentrations of the PAHs are consistently higher than measurements by up to a factor of 20. Introducing a kinetic limit on chemical transport from the fish compartment to the GIT and increasing the rate constant for degradation of PAHs in tissues of the liver and/or GIT are required to achieve good agreement between the modelled and measured concentrations for PAHs. Our results indicate that the apparent low absorption efficiency of PAHs relative to the chemicals with similar hydrophobicity is attributable to biotransformation in the liver and/or the GIT. Our results provide process-level insights about controls on the extent of bioaccumulation of chemicals. Copyright © 2015 Elsevier Ltd. All rights reserved.

DESIGNING EFFICIENT, ECONOMIC AND ENVIRONMENTALLY FRIENDLY CHEMICAL PROCESSES

EPA Science Inventory

A catalytic reforming process has been studied using hierarchical design and simulation calculations. Approximations for the fugitive emissions indicate which streams allow the most value to be lost and which have the highest potential environmental impact. One can use this infor...

DESIGNING EFFICIENT, ECONOMIC AND ENVIRONMENTALLY FRIENDLY CHEMICAL PROCESSES

EPA Science Inventory

A catalytic reforming process has been studied using hierarchical design and simulation calculations. Aproximations for the fugitive emissions indicate which streams allow the most value to be lost and which have the highest potential environmental impact. One can use tis inform...

The Galactic Chemical Evolution of r-Process Elements by Neutron Star Mergers

NASA Astrophysics Data System (ADS)

Komiya, Yutaka; Shigeyama, Toshikazu

Neutron star mergers (NSMs) are prime candidate sources of r-process elements in the universe but it have been said that NSMs cannot reproduce r-process elements on extremely metal-poor (EMP) stars. We revisit this problem using a new chemical evolution model with merger trees of galaxies. We consider (1) propagation of NSM ejecta of kilo-parsec scale due to its very large velocity and (2) star formation efficiency depending on the galaxy mass. In our model with these ingredients, NSMs can successfully reproduce the abundance distribution of EMP stars.

High-Performance Ultrathin Organic-Inorganic Hybrid Silicon Solar Cells via Solution-Processed Interface Modification.

PubMed

Zhang, Jie; Zhang, Yinan; Song, Tao; Shen, Xinlei; Yu, Xuegong; Lee, Shuit-Tong; Sun, Baoquan; Jia, Baohua

2017-07-05

Organic-inorganic hybrid solar cells based on n-type crystalline silicon and poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) exhibited promising efficiency along with a low-cost fabrication process. In this work, ultrathin flexible silicon substrates, with a thickness as low as tens of micrometers, were employed to fabricate hybrid solar cells to reduce the use of silicon materials. To improve the light-trapping ability, nanostructures were built on the thin silicon substrates by a metal-assisted chemical etching method (MACE). However, nanostructured silicon resulted in a large amount of surface-defect states, causing detrimental charge recombination. Here, the surface was smoothed by solution-processed chemical treatment to reduce the surface/volume ratio of nanostructured silicon. Surface-charge recombination was dramatically suppressed after surface modification with a chemical, associated with improved minority charge-carrier lifetime. As a result, a power conversion efficiency of 9.1% was achieved in the flexible hybrid silicon solar cells, with a substrate thickness as low as ∼14 μm, indicating that interface engineering was essential to improve the hybrid junction quality and photovoltaic characteristics of the hybrid devices.

Green Oxidation of Menthol Enantiomers and Analysis by Circular Dichroism Spectroscopy: An Advanced Organic Chemistry Laboratory

ERIC Educational Resources Information Center

Geiger, H. Cristina; Donohoe, James S.

2012-01-01

Green chemistry addresses environmental concerns associated with chemical processes and increases awareness of possible harmful effects of chemical reagents. Efficient reactions that eliminate or reduce the use of organic solvents or toxic reagents are increasingly available. A two-week experiment is reported that entails the calcium hypochlorite…

Treatment of soft drink process wastewater by ozonation, ozonation-H₂O₂ and ozonation-coagulation processes.

PubMed

García-Morales, M A; Roa-Morales, G; Barrera-Díaz, C; Balderas-Hernández, P

2012-01-01

In this research, we studied the treatment of wastewater from the soft drink process using oxidation with ozone. A scheme composed of sequential ozonation-peroxide, ozonation-coagulation and coagulation-ozonation treatments to reduce the organic matter from the soft drink process was also used. The samples were taken from the conventional activated sludge treatment of the soft drink process, and the experiments using chemical oxidation with ozone were performed in a laboratory using a reactor through a porous plate glass diffuser with air as a feedstock for the generation of ozone. Once the sample was ozonated, the treatments were evaluated by considering the contact time, leading to greater efficiency in removing colour, turbidity and chemical oxygen demand (COD). The effect of ozonation and coagulant coupled with treatment efficiency was assessed under optimal conditions, and substantial colour and turbidity removal were found (90.52% and 93.33%, respectively). This was accompanied by a 16.78% reduction in COD (initial COD was 3410 mg/L). The absorbance spectra of the oxidised products were compared using UV-VIS spectroscopy to indicate the level of oxidation of the wastewater. We also determined the kinetics of decolouration and the removal of turbidity with the best treatment. The same treatment was applied to the sample taken from the final effluent of the activated sludge system, and a COD removal efficiency of 100% during the first minute of the reaction with ozone was achieved. As a general conclusion, we believe that the coagulant polyaluminum chloride - ozone (PAC- ozone) treatment of wastewater from the manufacturing of soft drinks is the most efficient for removing turbidity and colour and represents an advantageous option to remove these contaminants because their removal was performed in minutes compared to the duration of traditional physical, chemical and biological processes that require hours or days.

Inductively and capacitively coupled plasmas at interface: A comparative study towards highly efficient amorphous-crystalline Si solar cells

NASA Astrophysics Data System (ADS)

Guo, Yingnan; Ong, Thiam Min Brian; Levchenko, I.; Xu, Shuyan

2018-01-01

A comparative study on the application of two quite different plasma-based techniques to the preparation of amorphous/crystalline silicon (a-Si:H/c-Si) interfaces for solar cells is presented. The interfaces were fabricated and processed by hydrogen plasma treatment using the conventional plasma-enhanced chemical vacuum deposition (PECVD) and inductively coupled plasma chemical vapour deposition (ICP-CVD) methods The influence of processing temperature, radio-frequency power, treatment duration and other parameters on interface properties and degree of surface passivation were studied. It was found that passivation could be improved by post-deposition treatment using both ICP-CVD and PECVD, but PECVD treatment is more efficient for the improvement on passivation quality, whereas the minority carrier lifetime increased from 1.65 × 10-4 to 2.25 × 10-4 and 3.35 × 10-4 s after the hydrogen plasma treatment by ICP-CVD and PECVD, respectively. In addition to the improvement of carrier lifetimes at low temperatures, low RF powers and short processing times, both techniques are efficient in band gap adjustment at sophisticated interfaces.

Eco-efficiency Analysis of Furniture Product Using Life Cycle Assessment

NASA Astrophysics Data System (ADS)

Rinawati, Dyah Ika; Sriyanto; Sari, Diana Puspita; Prayodha, Andana Cantya

2018-02-01

Furniture is one of Indonesia's main commodities strategically role in economic growth and employment in Indonesia. In their production process there many wastes resulted, such as such as sawdust, cuttings - pieces of wood, components that do not conform to specifications and the edges of wood from a log. Contrast with requirement of timber for furniture industries, availability of raw material sources decrease because of limited forest areas. Beside that, using electricity and chemical material in furniture production process have impact to environment. This study aim to assess the eco-cost and eco-efficiency ratio of the product so strategic recommendations to improve the eco-efficiency of products can be designed. The results of data processing showed the environmental costs of the furniture production process amount Rp 30.887.84. Eco-efficiency index of furniture products studied was 4,79 with the eco-efficiency ratio of 79,12%. This result means that the measured furniture products already profitable and sustainable, as well as its production process is already fairly efficient. However, improved performance of the production process can still be done to improve the eco-efficiency by minimizing the use of raw materials.

Recent Developments in the Application of Biologically Inspired Computation to Chemical Sensing

NASA Astrophysics Data System (ADS)

Marco, S.; Gutierrez-Gálvez, A.

2009-05-01

Biological olfaction outperforms chemical instrumentation in specificity, response time, detection limit, coding capacity, time stability, robustness, size, power consumption, and portability. This biological function provides outstanding performance due, to a large extent, to the unique architecture of the olfactory pathway, which combines a high degree of redundancy, an efficient combinatorial coding along with unmatched chemical information processing mechanisms. The last decade has witnessed important advances in the understanding of the computational primitives underlying the functioning of the olfactory system. In this work, the state of the art concerning biologically inspired computation for chemical sensing will be reviewed. Instead of reviewing the whole body of computational neuroscience of olfaction, we restrict this review to the application of models to the processing of real chemical sensor data.

Comparative efficiency of different methods of gluten extraction in indigenous varieties of wheat.

PubMed

Imran, Samra; Hussain, Zaib; Ghafoor, Farkhanda; Nagra, Saeedahmad; Ziai, Naheeda Ashbeal

2013-06-01

The present study investigated six varieties of locally grown wheat (Lasani, Sehar, Miraj-08, Chakwal-50, Faisalabad-08 and Inqlab) procured from Punjab Seed Corporation, Lahore, Pakistan for their proximate contents. On the basis of protein content and ready availability, Faisalabad-08 (FD-08) was selected to be used for the assessment of comparative efficiency of various methods used for gluten extraction. Three methods, mechanical, chemical and microbiological were used for the extraction of gluten from FD-08. Each method was carried out under ambient conditions using a drying temperature of 55 degrees C. Mechanical method utilized four different processes viz:- dough process, dough batter process, batter process and ethanol washing process using standard 150 mesh. The starch thus obtained was analyzed for its proximate contents. Dough batter process proved to be the most efficient mechanical method and was further investigated using 200 and 300 mesh. Gluten content was determined using sandwich omega-gliadin enzyme-linked immunosorbent assay (ELISA).The results of dough batter process using 200 mesh indicated a starch product with gluten content of 678 ppm. Chemical method indicated high gluten content of more than 5000 ppm and the microbiological method reduced the gluten content from 2500 ppm to 398 ppm. From the results it was observed that no gluten extraction method is viable to produce starch which can fulfill the criteria of a gluten free product (20 ppm).

Catalytic amino acid production from biomass-derived intermediates.

PubMed

Deng, Weiping; Wang, Yunzhu; Zhang, Sui; Gupta, Krishna M; Hülsey, Max J; Asakura, Hiroyuki; Liu, Lingmei; Han, Yu; Karp, Eric M; Beckham, Gregg T; Dyson, Paul J; Jiang, Jianwen; Tanaka, Tsunehiro; Wang, Ye; Yan, Ning

2018-05-15

Amino acids are the building blocks for protein biosynthesis and find use in myriad industrial applications including in food for humans, in animal feed, and as precursors for bio-based plastics, among others. However, the development of efficient chemical methods to convert abundant and renewable feedstocks into amino acids has been largely unsuccessful to date. To that end, here we report a heterogeneous catalyst that directly transforms lignocellulosic biomass-derived α-hydroxyl acids into α-amino acids, including alanine, leucine, valine, aspartic acid, and phenylalanine in high yields. The reaction follows a dehydrogenation-reductive amination pathway, with dehydrogenation as the rate-determining step. Ruthenium nanoparticles supported on carbon nanotubes (Ru/CNT) exhibit exceptional efficiency compared with catalysts based on other metals, due to the unique, reversible enhancement effect of NH 3 on Ru in dehydrogenation. Based on the catalytic system, a two-step chemical process was designed to convert glucose into alanine in 43% yield, comparable with the well-established microbial cultivation process, and therefore, the present strategy enables a route for the production of amino acids from renewable feedstocks. Moreover, a conceptual process design employing membrane distillation to facilitate product purification is proposed and validated. Overall, this study offers a rapid and potentially more efficient chemical method to produce amino acids from woody biomass components. Copyright © 2018 the Author(s). Published by PNAS.

The potential of novel infrared food processing technologies: case studies of those developed at the USDA-ARS

USDA-ARS?s Scientific Manuscript database

Infrared (IR) radiation heating has been considered as an alternative to current food and agricultural processing methods for improving product quality and safety, increasing energy and processing efficiency, and reducing water and chemical usage. As part of the electromagnetic spectrum, IR has the ...

Maximizing the efficiency of multienzyme process by stoichiometry optimization.

PubMed

Dvorak, Pavel; Kurumbang, Nagendra P; Bendl, Jaroslav; Brezovsky, Jan; Prokop, Zbynek; Damborsky, Jiri

2014-09-05

Multienzyme processes represent an important area of biocatalysis. Their efficiency can be enhanced by optimization of the stoichiometry of the biocatalysts. Here we present a workflow for maximizing the efficiency of a three-enzyme system catalyzing a five-step chemical conversion. Kinetic models of pathways with wild-type or engineered enzymes were built, and the enzyme stoichiometry of each pathway was optimized. Mathematical modeling and one-pot multienzyme experiments provided detailed insights into pathway dynamics, enabled the selection of a suitable engineered enzyme, and afforded high efficiency while minimizing biocatalyst loadings. Optimizing the stoichiometry in a pathway with an engineered enzyme reduced the total biocatalyst load by an impressive 56 %. Our new workflow represents a broadly applicable strategy for optimizing multienzyme processes. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

System and process for polarity swing assisted regeneration of gas selective capture liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heldebrant, David J.; Tegrotenhuis, Ward E.; Freeman, Charles J.

A polarity swing-assisted regeneration (PSAR) process is disclosed for improving the efficiency of releasing gases chemically bound to switchable ionic liquids. Regeneration of the SWIL involves addition of a quantity of non-polar organic compound as an anti-solvent to destabilize the SWIL, which aids in release of the chemically bound gas. The PSAR decreases gas loading of a SWIL at a given temperature and increases the rate of gas release compared to heating in the absence of anti-solvent.

An Easy-to-Machine Electrochemical Flow Microreactor: Efficient Synthesis of Isoindolinone and Flow Functionalization.

PubMed

Folgueiras-Amador, Ana A; Philipps, Kai; Guilbaud, Sébastien; Poelakker, Jarno; Wirth, Thomas

2017-11-27

Flow electrochemistry is an efficient methodology to generate radical intermediates. An electrochemical flow microreactor has been designed and manufactured to improve the efficiency of electrochemical flow reactions. With this device only little or no supporting electrolytes are needed, making processes less costly and enabling easier purification. This is demonstrated by the facile synthesis of amidyl radicals used in intramolecular hydroaminations to produce isoindolinones. The combination with inline mass spectrometry facilitates a much easier combination of chemical steps in a single flow process. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Using Equation-Free Computation to Accelerate Network-Free Stochastic Simulation of Chemical Kinetics.

PubMed

Lin, Yen Ting; Chylek, Lily A; Lemons, Nathan W; Hlavacek, William S

2018-06-21

The chemical kinetics of many complex systems can be concisely represented by reaction rules, which can be used to generate reaction events via a kinetic Monte Carlo method that has been termed network-free simulation. Here, we demonstrate accelerated network-free simulation through a novel approach to equation-free computation. In this process, variables are introduced that approximately capture system state. Derivatives of these variables are estimated using short bursts of exact stochastic simulation and finite differencing. The variables are then projected forward in time via a numerical integration scheme, after which a new exact stochastic simulation is initialized and the whole process repeats. The projection step increases efficiency by bypassing the firing of numerous individual reaction events. As we show, the projected variables may be defined as populations of building blocks of chemical species. The maximal number of connected molecules included in these building blocks determines the degree of approximation. Equation-free acceleration of network-free simulation is found to be both accurate and efficient.

Efficient use of shrimp waste: present and future trends.

PubMed

Kandra, Prameela; Challa, Murali Mohan; Jyothi, Hemalatha Kalangi Padma

2012-01-01

The production of shrimp waste from shrimp processing industries has undergone a dramatic increase in recent years. Continued production of this biomaterial without corresponding development of utilizing technology has resulted in waste collection, disposal, and pollution problems. Currently used chemical process releases toxic chemicals such as HCl, acetic acid, and NaOH into aquatic ecosystem as byproducts which will spoil the aquatic flora and fauna. Environmental protection regulations have become stricter. Now, there is a need to treat and utilize the waste in most efficient manner. The shrimp waste contains several bioactive compounds such as chitin, pigments, amino acids, and fatty acids. These bioactive compounds have a wide range of applications including medical, therapies, cosmetics, paper, pulp and textile industries, biotechnology, and food applications. This current review article present the utilization of shrimp waste as well as an alternative technology to replace hazardous chemical method that address the future trends in total utilization of shrimp waste for recovery of bioactive compounds.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaygusuz, K.

Exergy analysis is a general method for efficiency analysis of systems and processes. The use of the exergy concept and the analysis of ultimate efficiencies of processes is more or less still limited to the academic world. There are several reasons why its industrial use is still limited. To overcome some of the difficulties in industrial applications of energy analysis, it has made use of exergy analysis. The chemical exergy of a substance is the maximum work that can be obtained from it by taking it to chemical equilibrium with the reference environment at a constant temperature and pressure. Themore » first law analysis gives only the quantity of energy, while the second law defines the quality of energy also. The projected increase in coal utilization in power plants makes it desirable to evaluate the energy content of coal both quantitatively and qualitatively. In the present study, the chemical exergies of some coals of good quality in Turkey were calculated with the BASIC program by using second law analysis and the results were given as tabulated.« less

Novel micronized woody biomass process for production of cost-effective clean fermentable sugars.

PubMed

Fu, Yu; Gu, Bon-Jae; Wang, Jinwu; Gao, Johnway; Ganjyal, Girish M; Wolcott, Michael P

2018-07-01

Thermo-chemical pretreatments of biomass typically result in environmental impacts from water use and emission. The degradation byproducts in the resulting sugars can be inhibitory to the activities of enzymes and yeasts. The results of this study showed that combining existing commercial comminution technology can reduce total energy consumption with improved saccharification yield while eliminating chemical use. Impact mill was found to be the most efficient milling for size reduction of forest residual chips from ca. 2 mm to a specific value below 100 µm. The further micronization effectively disrupted the recalcitrance of the woody biomass and produced the highly saccharifiable substrates for downstream processing. In addition, extrusion can be integrated into a clean cellulosic sugar process for further fibrillation in place of the conventional mixing processing. The highest energy efficiency was observed on the impact-milled samples with 0.515 kg sugars kWh -1 . Copyright © 2018 Elsevier Ltd. All rights reserved.

Towards the Ultimate Membranes: Two-dimensional Nanoporous Materials and Films.

PubMed

Agrawal, Kumar Varoon

2018-05-30

The energy-efficient separation of molecules has been a popular topic in chemistry and chemical engineering as a consequence of the large energy-footprint of separation processes in the chemical industry. The Laboratory of Advanced Separations (LAS) at EPFL, led by Prof. Kumar Varoon Agrawal, is focused to develop next-generation, high-performance membranes that can improve the energy efficiency of hydrogen purification, carbon capture, hydrocarbon and water purification. For this, LAS is seeking to develop the ultimate nanoporous membranes, those with a thickness of 1 nm and possessing an array of size-selective nanopores. In this article, the research activities at LAS, especially in the bottom-up and top-down synthesis of chemically and thermally stable, nanoporous two-dimensional materials and membranes are discussed.

Energy Conversion and Storage Program

NASA Astrophysics Data System (ADS)

Cairns, E. J.

1993-06-01

This report is the 1992 annual progress report for the Energy Conversion and Storage Program, a part of the Energy and Environment Division of the Lawrence Berkeley Laboratory. Work described falls into three broad areas: electrochemistry; chemical applications; and materials applications. The Energy Conversion and Storage Program applies principles of chemistry and materials science to solve problems in several areas: (1) production of new synthetic fuels, (2) development of high-performance rechargeable batteries and fuel cells, (3) development of advanced thermochemical processes for energy conversion, (4) characterization of complex chemical processes and chemical species, and (5) study and application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry research aims to develop advanced power systems for electric vehicle and stationary energy storage applications. Chemical applications research includes topics such as separations, catalysis, fuels, and chemical analyses. Included in this program area are projects to develop improved, energy-efficient methods for processing product and waste streams from synfuel plants, coal gasifiers, and biomass conversion processes. Materials applications research includes evaluation of the properties of advanced materials, as well as development of novel preparation techniques. For example, techniques such as sputtering, laser ablation, and poised laser deposition are being used to produce high-temperature superconducting films.

Energy-efficient neural information processing in individual neurons and neuronal networks.

PubMed

Yu, Lianchun; Yu, Yuguo

2017-11-01

Brains are composed of networks of an enormous number of neurons interconnected with synapses. Neural information is carried by the electrical signals within neurons and the chemical signals among neurons. Generating these electrical and chemical signals is metabolically expensive. The fundamental issue raised here is whether brains have evolved efficient ways of developing an energy-efficient neural code from the molecular level to the circuit level. Here, we summarize the factors and biophysical mechanisms that could contribute to the energy-efficient neural code for processing input signals. The factors range from ion channel kinetics, body temperature, axonal propagation of action potentials, low-probability release of synaptic neurotransmitters, optimal input and noise, the size of neurons and neuronal clusters, excitation/inhibition balance, coding strategy, cortical wiring, and the organization of functional connectivity. Both experimental and computational evidence suggests that neural systems may use these factors to maximize the efficiency of energy consumption in processing neural signals. Studies indicate that efficient energy utilization may be universal in neuronal systems as an evolutionary consequence of the pressure of limited energy. As a result, neuronal connections may be wired in a highly economical manner to lower energy costs and space. Individual neurons within a network may encode independent stimulus components to allow a minimal number of neurons to represent whole stimulus characteristics efficiently. This basic principle may fundamentally change our view of how billions of neurons organize themselves into complex circuits to operate and generate the most powerful intelligent cognition in nature. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

On Study of Application of Micro-reactor in Chemistry and Chemical Field

NASA Astrophysics Data System (ADS)

Zhang, Yunshen

2018-02-01

Serving as a micro-scale chemical reaction system, micro-reactor is characterized by high heat transfer efficiency and mass transfer, strictly controlled reaction time and good safety performance; compared with the traditional mixing reactor, it can effectively shorten reaction time by virtue of these advantages and greatly enhance the chemical reaction conversion rate. However, problems still exist in the process where micro-reactor is used for production in chemistry and chemical field, and relevant researchers are required to optimize and perfect the performance of micro-reactor. This paper analyzes specific application of micro-reactor in chemistry and chemical field.

Determination of pharmaceutical compounds in hospital wastewater and their elimination by advanced oxidation processes.

PubMed

Souza, Fernanda S; Da Silva, Vanessa V; Rosin, Catiusa K; Hainzenreder, Luana; Arenzon, Alexandre; Pizzolato, Tania; Jank, Louise; Féris, Liliana A

2018-02-23

This study investigates the mineralization efficiency, i.e. removal of total organic carbon (TOC) in hospital wastewater by direct ozonation, ozonation with UV radiation (O 3 /UV), homogeneous catalytic ozonation (O 3 /Fe 2+ ) and homogeneous photocatalytic ozonation (O 3 /Fe 2+ /UV). The influence of pH and reaction time was evaluated. For the best process, toxicity and degradation efficiency of the selected pharmaceutical compounds (PhCs) were determined. The results showed that the PhCs detected in the hospital wastewater were completely degraded when the mineralization efficiency reached 54.7% for O 3 /UV with 120 minutes of reaction time using a rate of 1.57 g O 3 h -1 . This process also achieved a higher chemical oxygen demand removal efficiency (64.05%), an increased aromaticity reduction efficiency (81%) and a toxicity reduction.

Assessing the feasibility of wastewater recycling and treatment efficiency of wastewater treatment units.

PubMed

Lou, Jie-Chung; Lin, Yung-Chang

2008-02-01

Wastewater reuse can significantly reduce environmental pollution and save the water sources. The study selected Cheng-Ching Lake water treatment plant in southern Taiwan to discuss the feasibility of wastewater recycling and treatment efficiency of wastewater treatment units. The treatment units of this plant include wastewater basin, sedimentation basin, sludge thickener and sludge dewatering facility. In this study, the treatment efficiency of SS and turbidity were 48.35-99.68% and 24.15-99.36%, respectively, showing the significant removal efficiency of the wastewater process. However, the removal efficiencies of NH(3)-N, total organic carbon (TOC) and chemical oxygen demand (COD) are limited by wastewater treatment processes. Because NH(3)-N, TOC and COD of the mixing supernatant and raw water are regulated raw water quality standards, supernatant reuse is feasible and workable during wastewater processes at this plant. Overall, analytical results indicated that supernatant reuse is feasible.

Magnesium doping of efficient GaAs and Ga(0.75)In(0.25)As solar cells grown by metalorganic chemical vapor deposition

NASA Technical Reports Server (NTRS)

Lewis, C. R.; Ford, C. W.; Werthen, J. G.

1984-01-01

Magnesium has been substituted for zinc in GaAs and Ga(0.75)In(0.25)As solar cells grown by metalorganic chemical vapor deposition (MOCVD). Bis(cyclopentadienyl)magnesium (Cp2Mg) is used as the MOCVD transport agent for Mg. Full retention of excellent material quality and efficient cell performance results. The substitution of Mg for Zn would enhance the abruptness and reproducibility of doping profiles, and facilitate high temperature processing and operation, due to the much lower diffusion coefficient of Mg, relative to Zn, in these materials.

Advanced model-based control strategies for the intensification of upstream and downstream processing in mAb production.

PubMed

Papathanasiou, Maria M; Quiroga-Campano, Ana L; Steinebach, Fabian; Elviro, Montaña; Mantalaris, Athanasios; Pistikopoulos, Efstratios N

2017-07-01

Current industrial trends encourage the development of sustainable, environmentally friendly processes with minimal energy and material consumption. In particular, the increasing market demand in biopharmaceutical industry and the tight regulations in product quality necessitate efficient operating procedures that guarantee products of high purity. In this direction, process intensification via continuous operation paves the way for the development of novel, eco-friendly processes, characterized by higher productivity and lower production costs. This work focuses on the development of advanced control strategies for (i) a cell culture system in a bioreactor and (ii) a semicontinuous purification process. More specifically, we consider a fed-batch culture of GS-NS0 cells and the semicontinuous Multicolumn Countercurrent Solvent Gradient Purification (MCSGP) for the purification process. The controllers are designed following the PAROC framework/software platform and their capabilities are assessed in silico, against the process models. It is demonstrated that the proposed controllers efficiently manage to increase the system productivity, returning strategies that can lead to continuous, stable process operation. © 2017 American Institute of Chemical Engineers Biotechnol. Prog., 33:966-988, 2017. © 2017 American Institute of Chemical Engineers.

Experimental thermodynamics of single molecular motor.

PubMed

Toyabe, Shoichi; Muneyuki, Eiro

2013-01-01

Molecular motor is a nano-sized chemical engine that converts chemical free energy to mechanical motions. Hence, the energetics is as important as kinetics in order to understand its operation principle. We review experiments to evaluate the thermodynamic properties of a rotational F1-ATPase motor (F1-motor) at a single-molecule level. We show that the F1-motor achieves 100% thermo dynamic efficiency at the stalled state. Furthermore, the motor reduces the internal irreversible heat inside the motor to almost zero and achieves a highly-efficient free energy transduction close to 100% during rotations far from quasistatic process. We discuss the mechanism of how the F1-motor achieves such a high efficiency, which highlights the remarkable property of the nano-sized engine F1-motor.

Downstream processing of stevioside and its potential applications.

PubMed

Puri, Munish; Sharma, Deepika; Tiwari, Ashok K

2011-01-01

Stevioside is a natural sweetener extracted from leaves of Stevia rebaudiana Bertoni, which is commercially produced by conventional (chemical/physical) processes. This article gives an overview of the stevioside structure, various analysis technique, new technologies required and the advances achieved in recent years. An enzymatic process is established, by which the maximum efficacy and benefit of the process can be achieved. The efficiency of the enzymatic process is quite comparable to that of other physical and chemical methods. Finally, we believe that in the future, the enzyme-based extraction will ensure more cost-effective availability of stevioside, thus assisting in the development of more food-based applications. Copyright © 2011 Elsevier Inc. All rights reserved.

Catalytic Conversion of Carbohydrates to Initial Platform Chemicals: Chemistry and Sustainability.

PubMed

Mika, László T; Cséfalvay, Edit; Németh, Áron

2018-01-24

The replacement of fossil resources that currently provide more than 90% of our energy needs and feedstocks of the chemical industry in combination with reduced emission of carbon dioxide is one of the most pressing challenges of mankind. Biomass as a globally available resource has been proposed as an alternative feedstock for production of basic building blocks, which could partially or even fully replace the currently utilized fossil-based ones in well-established chemical processes. The destruction of lignocellulosic feed followed by oxygen removal from its cellulose and hemicellulose content by catalytic processes results in the formation of initial platform chemicals (IPCs). However, their sustainable production strongly depends on the availability of resources, their efficient or even industrially viable conversion processes, and replenishment time of feedstocks. Herein, we overview recent advances and developments in catalytic transformations of the carbohydrate content of lignocellulosic biomass to IPCs (i.e., ethanol, 3-hydroxypropionic acid, isoprene, succinic and levulinic acids, furfural, and 5-hydroxymethylfurfural). The mechanistic aspects, development of new catalysts, different efficiency indicators (yield and selectivity), and conversion conditions of their production are presented and compared. The potential biochemical production routes utilizing recently engineered microorganisms are reviewed, as well. The sustainability metrics that could be applied to the chemical industry (individual set of sustainability indicators, composite indices methods, material and energy flow analysis-based metrics, and ethanol equivalents) are also overviewed as well as an outlook is provided to highlight challenges and opportunities associated with this huge research area.

CO2 Dissociation by Low Current Gliding Discharge in the Reverse Vortex Flow

NASA Astrophysics Data System (ADS)

Gutsol, Alexander

2012-10-01

If performed with high energy efficiency, plasma-chemical dissociation of carbon dioxide can be a way of converting and storing energy when there is an excess of electric energy, for example generated by solar elements of wind turbines. CO2 dissociation with efficiency of up to 90% was reported earlier for low pressure microwave discharge in supersonic flow. A new plasma-chemical system uses a low current gliding discharge in the reverse vortex flow of plasma gas. The system is a development of the Gliding Arc in Tornado reactor. The system was used to study dissociation of CO2 in wide ranges of the following experimental parameters: reactor pressure (15-150 kPa), discharge current (50-500 mA), gas flow rate (3-30 liters per minute), and electrode gap length (1-10 cm). Additionally, the effect of thermal energy recuperation on CO2 dissociation efficiency was tested. Plasma chemical efficiency of CO2 dissociation is very low (about 3%) in a short discharge at low pressures (about 15 kPa) when it is defined by electronic excitation. The highest efficiency (above 40%) was reached at pressures 50-70 kPa in a long discharge with thermal energy recuperation. It means that the process is controlled by thermal dissociation with subsequent effective quenching. Plasma chemical efficiency was determined from the data of chromatographic analysis and oscilloscope electric power integration, and also was checked calorimetrically by the thermal balance of the system.

Effective Charge Carrier Utilization in Photocatalytic Conversions.

PubMed

Zhang, Peng; Wang, Tuo; Chang, Xiaoxia; Gong, Jinlong

2016-05-17

Continuous efforts have been devoted to searching for sustainable energy resources to alleviate the upcoming energy crises. Among various types of new energy resources, solar energy has been considered as one of the most promising choices, since it is clean, sustainable, and safe. Moreover, solar energy is the most abundant renewable energy, with a total power of 173 000 terawatts striking Earth continuously. Conversion of solar energy into chemical energy, which could potentially provide continuous and flexible energy supplies, has been investigated extensively. However, the conversion efficiency is still relatively low since complicated physical, electrical, and chemical processes are involved. Therefore, carefully designed photocatalysts with a wide absorption range of solar illumination, a high conductivity for charge carriers, a small number of recombination centers, and fast surface reaction kinetics are required to achieve a high activity. This Account describes our recent efforts to enhance the utilization of charge carriers for semiconductor photocatalysts toward efficient solar-to-chemical energy conversion. During photocatalytic reactions, photogenerated electrons and holes are involved in complex processes to convert solar energy into chemical energy. The initial step is the generation of charge carriers in semiconductor photocatalysts, which could be enhanced by extending the light absorption range. Integration of plasmonic materials and introduction of self-dopants have been proved to be effective methods to improve the light absorption ability of photocatalysts to produce larger amounts of photogenerated charge carriers. Subsequently, the photogenerated electrons and holes migrate to the surface. Therefore, acceleration of the transport process can result in enhanced solar energy conversion efficiency. Different strategies such as morphology control and conductivity improvement have been demonstrated to achieve this goal. Fine-tuning of the morphology of nanostructured photocatalysts can reduce the migration distance of charge carriers. Improving the conductivity of photocatalysts by using graphitic materials can also improve the transport of charge carriers. Upon charge carrier migration, electrons and holes also tend to recombine. The suppression of recombination can be achieved by constructing heterojunctions that enhance charge separation in the photocatalysts. Surface states acting as recombination centers should also be removed to improve the photocatalytic efficiency. Moreover, surface reactions, which are the core chemical processes during the solar energy conversion, can be enhanced by applying cocatalysts as well as suppressing side reactions. All of these strategies have been proved to be essential for enhancing the activities of semiconductor photocatalysts. It is hoped that delicate manipulation of photogenerated charge carriers in semiconductor photocatalysts will hold the key to effective solar-to-chemical energy conversion.

CERENA: ChEmical REaction Network Analyzer--A Toolbox for the Simulation and Analysis of Stochastic Chemical Kinetics.

PubMed

Kazeroonian, Atefeh; Fröhlich, Fabian; Raue, Andreas; Theis, Fabian J; Hasenauer, Jan

2016-01-01

Gene expression, signal transduction and many other cellular processes are subject to stochastic fluctuations. The analysis of these stochastic chemical kinetics is important for understanding cell-to-cell variability and its functional implications, but it is also challenging. A multitude of exact and approximate descriptions of stochastic chemical kinetics have been developed, however, tools to automatically generate the descriptions and compare their accuracy and computational efficiency are missing. In this manuscript we introduced CERENA, a toolbox for the analysis of stochastic chemical kinetics using Approximations of the Chemical Master Equation solution statistics. CERENA implements stochastic simulation algorithms and the finite state projection for microscopic descriptions of processes, the system size expansion and moment equations for meso- and macroscopic descriptions, as well as the novel conditional moment equations for a hybrid description. This unique collection of descriptions in a single toolbox facilitates the selection of appropriate modeling approaches. Unlike other software packages, the implementation of CERENA is completely general and allows, e.g., for time-dependent propensities and non-mass action kinetics. By providing SBML import, symbolic model generation and simulation using MEX-files, CERENA is user-friendly and computationally efficient. The availability of forward and adjoint sensitivity analyses allows for further studies such as parameter estimation and uncertainty analysis. The MATLAB code implementing CERENA is freely available from http://cerenadevelopers.github.io/CERENA/.

CERENA: ChEmical REaction Network Analyzer—A Toolbox for the Simulation and Analysis of Stochastic Chemical Kinetics

PubMed Central

Kazeroonian, Atefeh; Fröhlich, Fabian; Raue, Andreas; Theis, Fabian J.; Hasenauer, Jan

2016-01-01

Gene expression, signal transduction and many other cellular processes are subject to stochastic fluctuations. The analysis of these stochastic chemical kinetics is important for understanding cell-to-cell variability and its functional implications, but it is also challenging. A multitude of exact and approximate descriptions of stochastic chemical kinetics have been developed, however, tools to automatically generate the descriptions and compare their accuracy and computational efficiency are missing. In this manuscript we introduced CERENA, a toolbox for the analysis of stochastic chemical kinetics using Approximations of the Chemical Master Equation solution statistics. CERENA implements stochastic simulation algorithms and the finite state projection for microscopic descriptions of processes, the system size expansion and moment equations for meso- and macroscopic descriptions, as well as the novel conditional moment equations for a hybrid description. This unique collection of descriptions in a single toolbox facilitates the selection of appropriate modeling approaches. Unlike other software packages, the implementation of CERENA is completely general and allows, e.g., for time-dependent propensities and non-mass action kinetics. By providing SBML import, symbolic model generation and simulation using MEX-files, CERENA is user-friendly and computationally efficient. The availability of forward and adjoint sensitivity analyses allows for further studies such as parameter estimation and uncertainty analysis. The MATLAB code implementing CERENA is freely available from http://cerenadevelopers.github.io/CERENA/. PMID:26807911

Hierarchical optimal control of large-scale nonlinear chemical processes.

PubMed

Ramezani, Mohammad Hossein; Sadati, Nasser

2009-01-01

In this paper, a new approach is presented for optimal control of large-scale chemical processes. In this approach, the chemical process is decomposed into smaller sub-systems at the first level, and a coordinator at the second level, for which a two-level hierarchical control strategy is designed. For this purpose, each sub-system in the first level can be solved separately, by using any conventional optimization algorithm. In the second level, the solutions obtained from the first level are coordinated using a new gradient-type strategy, which is updated by the error of the coordination vector. The proposed algorithm is used to solve the optimal control problem of a complex nonlinear chemical stirred tank reactor (CSTR), where its solution is also compared with the ones obtained using the centralized approach. The simulation results show the efficiency and the capability of the proposed hierarchical approach, in finding the optimal solution, over the centralized method.

[Investigation of stages of chemical leaching and biooxidation during the extraction of gold from sulfide concentrates].

PubMed

Murav'ev, M I; Fomchenko, N V; Kondrat'eva, T V

2015-01-01

We examined the chemical leaching and biooxidation stages in a two-stage biooxidation process of an auriferous sulfide concentrate containing pyrrhotite, arsenopyrite and pyrite. Chemical leaching of the concentrate (slurry density at 200 g/L) by ferric sulfate biosolvent (initial concentration at 35.6 g/L), which was obtained by microbial oxidation of ferrous sulfate for 2 hours at 70°C at pH 1.4, was allowed to oxidize 20.4% ofarsenopyrite and 52.1% of sulfur. The most effective biooxidation of chemically leached concentrate was observed at 45°C in the presence of yeast extract. Oxidation of the sulfide concentrate in a two-step process proceeded more efficiently than in one-step. In a two-step mode, gold extraction from the precipitate was 10% higher and the content of elemental sulfur was two times lower than in a one-step process.

Modeling chemical reactions for drug design.

PubMed

Gasteiger, Johann

2007-01-01

Chemical reactions are involved at many stages of the drug design process. This starts with the analysis of biochemical pathways that are controlled by enzymes that might be downregulated in certain diseases. In the lead discovery and lead optimization process compounds have to be synthesized in order to test them for their biological activity. And finally, the metabolism of a drug has to be established. A better understanding of chemical reactions could strongly help in making the drug design process more efficient. We have developed methods for quantifying the concepts an organic chemist is using in rationalizing reaction mechanisms. These methods allow a comprehensive modeling of chemical reactivity and thus are applicable to a wide variety of chemical reactions, from gas phase reactions to biochemical pathways. They are empirical in nature and therefore allow the rapid processing of large sets of structures and reactions. We will show here how methods have been developed for the prediction of acidity values and of the regioselectivity in organic reactions, for designing the synthesis of organic molecules and of combinatorial libraries, and for furthering our understanding of enzyme-catalyzed reactions and of the metabolism of drugs.

The potential of novel infrared food processing technologies: case studies of those developed at the USDA-ARS WRRC and the University of California Davis

USDA-ARS?s Scientific Manuscript database

Infrared (IR) radiation heating has been considered as an alternative to current food and agricultural processing methods for improving product quality and safety, increasing energy and processing efficiency, and reducing water and chemical usage. As part of the electromagnetic spectrum, IR has the ...

The electrochemical reduction processes of solid compounds in high temperature molten salts.

PubMed

Xiao, Wei; Wang, Dihua

2014-05-21

Solid electrode processes fall in the central focus of electrochemistry due to their broad-based applications in electrochemical energy storage/conversion devices, sensors and electrochemical preparation. The electrolytic production of metals, alloys, semiconductors and oxides via the electrochemical reduction of solid compounds (especially solid oxides) in high temperature molten salts has been well demonstrated to be an effective and environmentally friendly process for refractory metal extraction, functional materials preparation as well as spent fuel reprocessing. The (electro)chemical reduction of solid compounds under cathodic polarizations generally accompanies a variety of changes at the cathode/melt electrochemical interface which result in diverse electrolytic products with different compositions, morphologies and microstructures. This report summarizes various (electro)chemical reactions taking place at the compound cathode/melt interface during the electrochemical reduction of solid compounds in molten salts, which mainly include: (1) the direct electro-deoxidation of solid oxides; (2) the deposition of the active metal together with the electrochemical reduction of solid oxides; (3) the electro-inclusion of cations from molten salts; (4) the dissolution-electrodeposition process, and (5) the electron hopping process and carbon deposition with the utilization of carbon-based anodes. The implications of the forenamed cathodic reactions on the energy efficiency, chemical compositions and microstructures of the electrolytic products are also discussed. We hope that a comprehensive understanding of the cathodic processes during the electrochemical reduction of solid compounds in molten salts could form a basis for developing a clean, energy efficient and affordable production process for advanced/engineering materials.

Chapter 28: Nanomaterials for Energy Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hurst, Katherine E; Luther, Joseph M; Ban, Chunmei

2017-01-02

A wide variety of nanomaterials have been applied to energy related applications, including nanofibers, nanocrystalline materials, nanoparticles, and thin film nanocoatings. Solid-state lighting offers significant advantages in energy efficiency compared to traditional lighting technologies. The potential for nanostructured solid-state lighting devices is excellent as it enjoys significant economic drivers in energy efficiency. Fuel cells convert chemical energy to electrical energy through electrochemical reactions at an anode and cathode. The conversion of biomass to fuels and chemicals offers great potential to reduce energy dependence on petroleum and reduce green house gas emissions. Batteries involve the production and storage of electrical charge,more » the transfer of cations and electrical current, each based on electrochemical reactions and chemical reactants. Battery performance relies on the complex processes and factors that affect the transport of charge in the reactants, and across the interface between the chemical phases.« less

Process for preparing a chemical compound enriched in isotope content. [nitrogen 15-enriched nitric acid

DOEpatents

Michaels, E.D.

1981-02-25

A process to prepare a chemical enriched in isotope content includes: a chemical exchange reaction between a first and second compound which yields an isotopically enriched first compound and an isotopically depleted second compound; the removal of a portion of the first compound as product and the removal of a portion of the second compound as spent material; the conversion of the remainder of the first compound to the second compound for reflux at the product end of the chemical exchange reaction region; the conversion of the remainder of the second compound to the first compound for reflux at the spent material end of the chemical exchange region; and the cycling of the additional chemicals produced by one conversion reaction to the other conversion reaction, for consumption therein. One of the conversion reactions is an oxidation reaction, and the energy that it yields is used to drive the other conversion reaction, a reduction. The reduction reaction is carried out in a solid polymer electrolyte electrolytic reactor. The overall process is energy efficient and yields no waste by-products. A particular embodiment of the process in the production of nitrogen-15-enriched nitric acid.

An efficient nontraditional method of directly converting a cotton fibrous material into a woven-like hydroentangled nonwoven cotton fabric

USDA-ARS?s Scientific Manuscript database

The traditional technology of producing cotton woven fabrics is comprised of about 20 mechanical and chemical processes that generally are costly, slow, inefficient, and environmentally somewhat unfriendly. A modern system, using fewer preparatory processes, of fabricating hydro-entangled cotton and...

Process for preparing a chemical compound enriched in isotope content

DOEpatents

Michaels, Edward D.

1982-01-01

A process to prepare a chemical enriched in isotope content which includes: (a) A chemical exchange reaction between a first and second compound which yields an isotopically enriched first compound and an isotopically depleted second compound; (b) the removal of a portion of the first compound as product and the removal of a portion of the second compound as spent material; (c) the conversion of the remainder of the first compound to the second compound for reflux at the product end of the chemical exchange reaction region; (d) the conversion of the remainder of the second compound to the first compound for reflux at the spent material end of the chemical exchange region; and the cycling of the additional chemicals produced by one conversion reaction to the other conversion reaction, for consumption therein. One of the conversion reactions is an oxidation reaction, and the energy that it yields is used to drive the other conversion reaction, a reduction. The reduction reaction is carried out in a solid polymer electrolyte electrolytic reactor. The overall process is energy efficient and yields no waste by-products.

Metabolic engineering is key to a sustainable chemical industry.

PubMed

Murphy, Annabel C

2011-08-01

The depletion of fossil fuel stocks will prohibit their use as the main feedstock of future industrial processes. Biocatalysis is being increasingly used to reduce fossil fuel reliance and to improve the sustainability, efficiency and cost of chemical production. Even with their current small market share, biocatalyzed processes already generate approximately US$50 billion and it has been estimated that they could be used to produce up to 20% of fine chemicals by 2020. Until the advent of molecular biological technologies, the compounds that were readily accessible from renewable biomass were restricted to naturally-occurring metabolites. However, metabolic engineering has considerably broadened the range of compounds now accessible, providing access to compounds that cannot be otherwise reliably sourced, as well as replacing established chemical processes. This review presents the case for continued efforts to promote the adoption of biocatalyzed processes, highlighting successful examples of industrial chemical production from biomass and/or via biocatalyzed processes. A selection of emerging technologies that may further extend the potential and sustainability of biocatalysis are also presented. As the field matures, metabolic engineering will be increasingly crucial in maintaining our quality of life into a future where our current resources and feedstocks cannot be relied upon.

High-performance vitrimers from commodity thermoplastics through dioxaborolane metathesis

NASA Astrophysics Data System (ADS)

Röttger, Max; Domenech, Trystan; van der Weegen, Rob; Breuillac, Antoine; Nicolaÿ, Renaud; Leibler, Ludwik

2017-04-01

Windmills, cars, and dental restoration demand polymer materials and composites that are easy to process, assemble, and recycle while exhibiting outstanding mechanical, thermal, and chemical resistance. Vitrimers, which are polymer networks able to shuffle chemical bonds through exchange reactions, could address these demands if they were prepared from existing plastics and processed with fast production rates and current equipment. We report the metathesis of dioxaborolanes, which is rapid and thermally robust, and use it to prepare vitrimers from polymers as different as poly(methyl methacrylate), polystyrene, and high-density polyethylene that, although permanently cross-linked, can be processed multiple times by means of extrusion or injection molding. They show superior chemical resistance and dimensional stability and can be efficiently assembled. The strategy is applicable to polymers with backbones made of carbon-carbon single bonds.

Conversion of CO2 to CO using radio-frequency atmospheric pressure plasmas

NASA Astrophysics Data System (ADS)

Foote, Alexander; Dedrick, James; O'Connell, Deborah; North, Michael; Gans, Timo

2016-09-01

Low temperature plasmas can be used for the in situ generation of CO, from relatively non-toxic CO2 . CO is very useful in many industrial chemical processes and so, via low temperature plasmas, CO2, a waste product, can be converted into a valuable chemical. The key challenges in using this method, for CO production, are optimising the energy efficiency, maximising the conversion of CO2 into CO and then separating the CO from the other species produced in the plasma. Very high yields of CO, greater than 90%, have been achieved at atmospheric pressure using argon as a carrier gas with admixtures up to 1.5% with energy efficiencies of up to 4%. The plasma generated in continuous and spatially homogeneous and is driven at a frequency of 40.68 MHz. A zero dimensional global model has also been used to simulate the chemical kinetics of the plasma to determine the dominant dissociation processes and is in good agreement with the experimentally determined yields. The model is used to determine how important a role the vibrational states of CO2 are, in a highly collisional plasma, to the production of CO and there can provide insight into how to improve the energy efficiency and suppress unwanted reactions.

Recycling acetic acid from polarizing film of waste liquid crystal display panels by sub/supercritical water treatments.

PubMed

Wang, Ruixue; Chen, Ya; Xu, Zhenming

2015-05-19

Waste liquid crystal display (LCD) panels mainly contain inorganic materials (glass substrate) and organic materials (polarizing film and liquid crystal). The organic materials should be removed first since containing polarizing film and liquid crystal is to the disadvantage of the indium recycling process. In the present study, an efficient and environmentally friendly process to obtain acetic acid from waste LCD panels by sub/supercritical water treatments is investigated. Furthermore, a well-founded reaction mechanism is proposed. Several highlights of this study are summarized as follows: (i) 99.77% of organic matters are removed, which means the present technology is quite efficient to recycle the organic matters; (ii) a yield of 78.23% acetic acid, a quite important fossil energy based chemical product is obtained, which can reduce the consumption of fossil energy for producing acetic acid; (iii) supercritical water acts as an ideal solvent, a requisite reactant as well as an efficient acid-base catalyst, and this is quite significant in accordance with the "Principles of Green Chemistry". In a word, the organic matters of waste LCD panels are recycled without environmental pollution. Meanwhile, this study provides new opportunities for alternating fossil-based chemical products for sustainable development, converting "waste" into "fossil-based chemicals".

DOE Office of Scientific and Technical Information (OSTI.GOV)

Illman, D.L.

Green chemistry is an effort to change the very concept of efficiency as it is applied to industrial chemical processes, shifting the balance from an exclusive focus on yield to one that places economic value on minimizing or eliminating wasteful by-products. Judging from a week-long symposium on Design for the Environment: A New Paradigm for the 21st Century co-sponsored by the Division of Environmental Chemistry and the Committee on Environmental Improvement of the Chemical Society of Washington, the green movement is one that is gaining momentum and acceptance. Presentations ranged from futuristic visions of nanotechnology-based chemical manufacturing to prescriptions formore » reducing waste in today's chemical processes. Some schemes are still the stuff of dreams, while others have already been implemented. This paper summarizes the contents of this symposium.« less

Catalytic upgrading of butyric acid towards fine chemicals and biofuels

PubMed Central

Matsakas, Leonidas; Christakopoulos, Paul; Rova, Ulrika

2016-01-01

Fermentation-based production of butyric acid is robust and efficient. Modern catalytic technologies make it possible to convert butyric acid to important fine chemicals and biofuels. Here, current chemocatalytic and biocatalytic conversion methods are reviewed with a focus on upgrading butyric acid to 1-butanol or butyl-butyrate. Supported Ruthenium- and Platinum-based catalyst and lipase exhibit important activities which can pave the way for more sustainable process concepts for the production of green fuels and chemicals. PMID:26994015

Catalytic upgrading of butyric acid towards fine chemicals and biofuels.

PubMed

Sjöblom, Magnus; Matsakas, Leonidas; Christakopoulos, Paul; Rova, Ulrika

2016-04-01

Fermentation-based production of butyric acid is robust and efficient. Modern catalytic technologies make it possible to convert butyric acid to important fine chemicals and biofuels. Here, current chemocatalytic and biocatalytic conversion methods are reviewed with a focus on upgrading butyric acid to 1-butanol or butyl-butyrate. Supported Ruthenium- and Platinum-based catalyst and lipase exhibit important activities which can pave the way for more sustainable process concepts for the production of green fuels and chemicals. © FEMS 2016.

Integrated operation of continuous chromatography and biotransformations for the generic high yield production of fine chemicals.

PubMed

Bechtold, Matthias; Makart, Stefan; Heinemann, Matthias; Panke, Sven

2006-06-25

The rapid progress in biocatalysis in the identification and development of enzymes over the last decade has enormously enlarged the chemical reaction space that can be addressed not only in research applications, but also on industrial scale. This enables us to consider even those groups of reactions that are very promising from a synthetic point of view, but suffer from drawbacks on process level, such as an unfavourable position of the reaction equilibrium. Prominent examples stem from the aldolase-catalyzed enantioselective carbon-carbon bond forming reactions, reactions catalyzed by isomerising enzymes, and reactions that are kinetically controlled. On the other hand, continuous chromatography concepts such as the simulating moving bed technology have matured and are increasingly realized on industrial scale for the efficient separation of difficult compound mixtures - including enantiomers - with unprecedented efficiency. We propose that coupling of enzyme reactor and continuous chromatography is a very suitable and potentially generic process concept to address the thermodynamic limitations of a host of promising biotransformations. This way, it should be possible to establish novel in situ product recovery processes of unprecedented efficiency and selectivity that represent a feasible way to recruit novel biocatalysts to the industrial portfolio.

Industrial biomanufacturing: The future of chemical production.

PubMed

Clomburg, James M; Crumbley, Anna M; Gonzalez, Ramon

2017-01-06

The current model for industrial chemical manufacturing employs large-scale megafacilities that benefit from economies of unit scale. However, this strategy faces environmental, geographical, political, and economic challenges associated with energy and manufacturing demands. We review how exploiting biological processes for manufacturing (i.e., industrial biomanufacturing) addresses these concerns while also supporting and benefiting from economies of unit number. Key to this approach is the inherent small scale and capital efficiency of bioprocesses and the ability of engineered biocatalysts to produce designer products at high carbon and energy efficiency with adjustable output, at high selectivity, and under mild process conditions. The biological conversion of single-carbon compounds represents a test bed to establish this paradigm, enabling rapid, mobile, and widespread deployment, access to remote and distributed resources, and adaptation to new and changing markets. Copyright © 2017, American Association for the Advancement of Science.

Chemical transformations of characteristic hop secondary metabolites in relation to beer properties and the brewing process: a review.

PubMed

Steenackers, Bart; De Cooman, Luc; De Vos, Dirk

2015-04-01

The annual production of hops (Humulus lupulus L.) exceeds 100,000 mt and is almost exclusively consumed by the brewing industry. The value of hops is attributed to their characteristic secondary metabolites; these metabolites are precursors which are transformed during the brewing process into important bittering, aromatising and preservative components with rather low efficiency. By selectively transforming these components off-line, both their utilisation efficiency and functionality can be significantly improved. Therefore, the chemical transformations of these secondary metabolites will be considered with special attention to recent advances in the field. The considered components are the hop alpha-acids, hop beta-acids and xanthohumol, which are components unique to hops, and alpha-humulene and beta-caryophyllene, sesquiterpenes which are highly characteristic of hops. Copyright © 2014 Elsevier Ltd. All rights reserved.

Recent advances in microbial production of mannitol: utilization of low-cost substrates, strain development and regulation strategies.

PubMed

Zhang, Min; Gu, Lei; Cheng, Chao; Ma, Jiangfeng; Xin, Fengxue; Liu, Junli; Wu, Hao; Jiang, Min

2018-02-26

Mannitol has been widely used in fine chemicals, pharmaceutical industries, as well as functional foods due to its excellent characteristics, such as antioxidant protecting, regulation of osmotic pressure and non-metabolizable feature. Mannitol can be naturally produced by microorganisms. Compared with chemical manufacturing, microbial production of mannitol provides high yield and convenience in products separation; however the fermentative process has not been widely adopted yet. A major obstacle to microbial production of mannitol under industrial-scale lies in the low economical efficiency, owing to the high cost of fermentation medium, leakage of fructose, low mannitol productivity. In this review, recent advances in improving the economical efficiency of microbial production of mannitol were reviewed, including utilization of low-cost substrates, strain development for high mannitol yield and process regulation strategies for high productivity.

Purification process of natural graphite as anode for Li-ion batteries: chemical versus thermal

NASA Astrophysics Data System (ADS)

Zaghib, K.; Song, X.; Guerfi, A.; Rioux, R.; Kinoshita, K.

The intercalation of Li ions in natural graphite that was purified by chemical and thermal processes was investigated. A new chemical process was developed that involved a mixed aqueous solution containing 30% H 2SO 4 and 30% NH xF y heated to 90 °C. The results of this process are compared to those obtained by heating the natural graphite from 1500 to 2400 °C in an inert environment (thermal process). The first-cycle coulombic efficiency of the purified natural graphite obtained by the chemical process is 91 and 84% after the thermal process at 2400 °C. Grinding the natural graphite before or after purification had no significant effect on electrochemical performance at low currents. However, grinding to a very small particle size before purification permitted optimization of the size distribution of the particles, which gives rise to a more homogenous electrode. The impurities in the graphite play a role as microabrasion agents during grinding which enhances its hardness and improves its mechanical properties. Grinding also modifies the particle morphology from a 2- to a 3-D structure (similar in shape to a potato). This potato-shaped natural graphite shows high reversible capacity at high current densities (about 90% at 1 C rate). Our analysis suggests that thermal processing is considerably more expensive than the chemical process to obtain purified natural graphite.

Restoration of obliterated engraved marks on steel surfaces by chemical etching reagent.

PubMed

Song, Qingfang

2015-05-01

Chemical etching technique is widely used for restoration of obliterated engraved marks on steel surface in the field of public security. The consumed thickness of steel surface during restoration process is considered as a major criterion for evaluating the efficiency of the chemical etching reagent. The thinner the consumed thickness, the higher the restoration efficiency. According to chemical principles, maintaining the continuous oxidative capabilities of etching reagents and increasing the kinetic rate difference of the reaction between the engraved and non-engraved area with the chemical etching reagent can effectively reduce the consumed steel thickness. The study employed steel surface from the engine case of motorcycle and the car frame of automobile. The chemical etching reagents are composed of nitric acid as the oxidizer, hydrofluoric acid as the coordination agent and mixed with glacial acetic acid or acetone as the solvents. Based on the performance evaluation of three different etching reagents, the one composed of HNO3, HF and acetone gave the best result. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Rare earth separations by selective borate crystallization

PubMed Central

Yin, Xuemiao; Wang, Yaxing; Bai, Xiaojing; Wang, Yumin; Chen, Lanhua; Xiao, Chengliang; Diwu, Juan; Du, Shiyu; Chai, Zhifang; Albrecht-Schmitt, Thomas E.; Wang, Shuao

2017-01-01

Lanthanides possess similar chemical properties rendering their separation from one another a challenge of fundamental chemical and global importance given their incorporation into many advanced technologies. New separation strategies combining green chemistry with low cost and high efficiency remain highly desirable. We demonstrate that the subtle bonding differences among trivalent lanthanides can be amplified during the crystallization of borates, providing chemical recognition of specific lanthanides that originates from Ln3+ coordination alterations, borate polymerization diversity and soft ligand coordination selectivity. Six distinct phases are obtained under identical reaction conditions across lanthanide series, further leading to an efficient and cost-effective separation strategy via selective crystallization. As proof of concept, Nd/Sm and Nd/Dy are used as binary models to demonstrate solid/aqueous and solid/solid separation processes. Controlling the reaction kinetics gives rise to enhanced separation efficiency of Nd/Sm system and a one-step quantitative separation of Nd/Dy with the aid of selective density-based flotation. PMID:28290448

Eco-Friendly Extraction of Biopolymer Chitin and Carotenoids from Shrimp Waste

NASA Astrophysics Data System (ADS)

Prameela, K.; Venkatesh, K.; Divya vani, K.; Sudesh Kumar, E.; Mohan, CH Murali

2017-08-01

Astaxanthin a nutraceutical and chitin a natural biopolymer present in shrimp waste. In current chemical extraction methods HCl and NaOH are used for extraction and these chemicals are introduced into aquatic ecosystems are spoiling aquatic flora and fauna, pollute the environment and destroy astaxanthin. Lactobacillus species were isolated from gut of Solenocera melantho and characterized phenotypically and genotypically. Initial screening experiments have shown to be an effective and identified as Lactobacillus plantaram based on morphological, biochemical characteristics and molecular analysis. Efficiency of fermentation has shown with good yield of astaxanthin and recovery of chitin. Hence this alternative microbial process is having advantage than existing hazardous, non-economical chemical process.

ECUT: Energy Conversion and utilization Technologies program biocatalysis research activity. Generation of chemical intermediates by catalytic oxidative decarboxylation of dilute organic acids

NASA Technical Reports Server (NTRS)

Distefano, S.; Gupta, A.; Ingham, J. D.

1983-01-01

A rhodium-based catalyst was prepared and preliminary experiments were completed where the catalyst appeared to decarboxylate dilute acids at concentrations of 1 to 10 vol%. Electron spin resonance spectroscoy was used to characterize the catalyst as a first step leading toward modeling and optimization of rhodium catalysts. Also, a hybrid chemical/biological process for the production of hydrocarbons has been assessed. These types of catalysts could greatly increase energy efficiency of this process.

Sequential chemical-biological processes for the treatment of industrial wastewaters: review of recent progresses and critical assessment.

PubMed

Guieysse, Benoit; Norvill, Zane N

2014-02-28

When direct wastewater biological treatment is unfeasible, a cost- and resource-efficient alternative to direct chemical treatment consists of combining biological treatment with a chemical pre-treatment aiming to convert the hazardous pollutants into more biodegradable compounds. Whereas the principles and advantages of sequential treatment have been demonstrated for a broad range of pollutants and process configurations, recent progresses (2011-present) in the field provide the basis for refining assessment of feasibility, costs, and environmental impacts. This paper thus reviews recent real wastewater demonstrations at pilot and full scale as well as new process configurations. It also discusses new insights on the potential impacts of microbial community dynamics on process feasibility, design and operation. Finally, it sheds light on a critical issue that has not yet been properly addressed in the field: integration requires complex and tailored optimization and, of paramount importance to full-scale application, is sensitive to uncertainty and variability in the inputs used for process design and operation. Future research is therefore critically needed to improve process control and better assess the real potential of sequential chemical-biological processes for industrial wastewater treatment. Copyright © 2013 Elsevier B.V. All rights reserved.

Investigation of internal elements impaction on particles circulation in a fluidized bed reactor

NASA Astrophysics Data System (ADS)

Solovev, S. A.; Soloveva, O. V.; Antipin, A. V.; Shamsutdinov, E. V.

2018-01-01

A numerical study of the fluidized bed apparatus in the presence of various internal elements is carried out. A chemical reaction for temperature-dependent processes with heat absorption is considered. The task of incoming heated catalyst granules to the reactor is investigated. The main emphasis is focused on the circulation flows of the catalyst particles, heating of the reactor, and the efficiency of the chemical reaction. The analysis of the impact of various design elements on the efficiency of the reactor is carried out. The influence of feeding heated catalyst device design on the effectiveness of whole reactor heating is educed. The influence of the presence of fine particles on the efficiency of the reaction for different reactor design features is also educed.

Experimental thermodynamics of single molecular motor

PubMed Central

Toyabe, Shoichi; Muneyuki, Eiro

2013-01-01

Molecular motor is a nano-sized chemical engine that converts chemical free energy to mechanical motions. Hence, the energetics is as important as kinetics in order to understand its operation principle. We review experiments to evaluate the thermodynamic properties of a rotational F1-ATPase motor (F1-motor) at a single-molecule level. We show that the F1-motor achieves 100% thermo dynamic efficiency at the stalled state. Furthermore, the motor reduces the internal irreversible heat inside the motor to almost zero and achieves a highly-efficient free energy transduction close to 100% during rotations far from quasistatic process. We discuss the mechanism of how the F1-motor achieves such a high efficiency, which highlights the remarkable property of the nano-sized engine F1-motor. PMID:27493546

Study of chemical reactivity in relation to experimental parameters of efficiency in coumarin derivatives for dye sensitized solar cells using DFT.

PubMed

Soto-Rojo, Rody; Baldenebro-López, Jesús; Glossman-Mitnik, Daniel

2015-06-07

A group of dyes derived from coumarin was studied, which consisted of nine molecules using a very similar manufacturing process of dye sensitized solar cells (DSSCs). Optimized geometries, energy levels of the highest occupied molecular orbital and the lowest unoccupied molecular orbital, and ultraviolet-visible spectra were obtained using theoretical calculations, and they were also compared with experimental conversion efficiencies of the DSSC. The representation of an excited state in terms of natural transition orbitals (NTOs) was studied. Chemical reactivity parameters were calculated and correlated with the experimental data linked to the efficiency of the DSSC. A new proposal was obtained to design new molecular systems and to predict their potential use as a dye in DSSCs.

Process for converting cellulosic materials into fuels and chemicals

DOEpatents

Scott, Charles D.; Faison, Brendlyn D.; Davison, Brian H.; Woodward, Jonathan

1994-01-01

A process for converting cellulosic materials, such as waste paper, into fuels and chemicals utilizing enzymatic hydrolysis of the major constituent of paper, cellulose. A waste paper slurry is contacted by cellulase in an agitated hydrolyzer. The cellulase is produced from a continuous, columnar, fluidized-bed bioreactor utilizing immobilized microorganisms. An attritor and a cellobiase reactor are coupled to the agitated hydrolyzer to improve reaction efficiency. The cellulase is recycled by an adsorption process. The resulting crude sugars are converted to dilute product in a fluidized-bed bioreactor utilizing microorganisms. The dilute product is concentrated and purified by utilizing distillation and/or a biparticle fluidized-bed bioreactor system.

Engineering a more sustainable world through catalysis and green chemistry.

PubMed

Sheldon, Roger A

2016-03-01

The grand challenge facing the chemical and allied industries in the twenty-first century is the transition to greener, more sustainable manufacturing processes that efficiently use raw materials, eliminate waste and avoid the use of toxic and hazardous materials. It requires a paradigm shift from traditional concepts of process efficiency, focusing on chemical yield, to one that assigns economic value to replacing fossil resources with renewable raw materials, eliminating waste and avoiding the use of toxic and/or hazardous substances. The need for a greening of chemicals manufacture is readily apparent from a consideration of the amounts of waste generated per kilogram of product (the E factors) in various segments of the chemical industry. A primary source of this waste is the use of antiquated 'stoichiometric' technologies and a major challenge is to develop green, catalytic alternatives. Another grand challenge for the twenty-first century, driven by the pressing need for climate change mitigation, is the transition from an unsustainable economy based on fossil resources--oil, coal and natural gas--to a sustainable one based on renewable biomass. In this context, the valorization of waste biomass, which is currently incinerated or goes to landfill, is particularly attractive. The bio-based economy involves cross-disciplinary research at the interface of biotechnology and chemical engineering, focusing on the development of green, chemo- and biocatalytic technologies for waste biomass conversion to biofuels, chemicals and bio-based materials. Biocatalysis has many benefits to offer in this respect. The catalyst is derived from renewable biomass and is biodegradable. Processes are performed under mild conditions and generally produce less waste and are more energy efficient than conventional ones. Thanks to modern advances in biotechnology 'tailor-made' enzymes can be economically produced on a large scale. However, for economic viability it is generally necessary to recover and re-use the enzyme and this can be achieved by immobilization, e.g. as solid cross-linked enzyme aggregates (CLEAs), enabling separation by filtration or centrifugation. A recent advance is the use of 'smart', magnetic CLEAs, which can be separated magnetically from reaction mixtures containing suspensions of solids; truly an example of cross-disciplinary research at the interface of physical and life sciences, which is particularly relevant to biomass conversion processes. © 2016 The Author(s).

Engineering a more sustainable world through catalysis and green chemistry

PubMed Central

2016-01-01

The grand challenge facing the chemical and allied industries in the twenty-first century is the transition to greener, more sustainable manufacturing processes that efficiently use raw materials, eliminate waste and avoid the use of toxic and hazardous materials. It requires a paradigm shift from traditional concepts of process efficiency, focusing on chemical yield, to one that assigns economic value to replacing fossil resources with renewable raw materials, eliminating waste and avoiding the use of toxic and/or hazardous substances. The need for a greening of chemicals manufacture is readily apparent from a consideration of the amounts of waste generated per kilogram of product (the E factors) in various segments of the chemical industry. A primary source of this waste is the use of antiquated ‘stoichiometric’ technologies and a major challenge is to develop green, catalytic alternatives. Another grand challenge for the twenty-first century, driven by the pressing need for climate change mitigation, is the transition from an unsustainable economy based on fossil resources—oil, coal and natural gas—to a sustainable one based on renewable biomass. In this context, the valorization of waste biomass, which is currently incinerated or goes to landfill, is particularly attractive. The bio-based economy involves cross-disciplinary research at the interface of biotechnology and chemical engineering, focusing on the development of green, chemo- and biocatalytic technologies for waste biomass conversion to biofuels, chemicals and bio-based materials. Biocatalysis has many benefits to offer in this respect. The catalyst is derived from renewable biomass and is biodegradable. Processes are performed under mild conditions and generally produce less waste and are more energy efficient than conventional ones. Thanks to modern advances in biotechnology ‘tailor-made’ enzymes can be economically produced on a large scale. However, for economic viability it is generally necessary to recover and re-use the enzyme and this can be achieved by immobilization, e.g. as solid cross-linked enzyme aggregates (CLEAs), enabling separation by filtration or centrifugation. A recent advance is the use of ‘smart’, magnetic CLEAs, which can be separated magnetically from reaction mixtures containing suspensions of solids; truly an example of cross-disciplinary research at the interface of physical and life sciences, which is particularly relevant to biomass conversion processes. PMID:27009181

Application of H2O and UV/H2O2 processes for enhancing the biodegradability of reactive black 5 dye.

PubMed

Kalpana, S Divya; Kalyanaraman, Chitra; Gandhi, N Nagendra

2011-07-01

Leather processing is a traditional activity in India during which many organic and inorganic chemicals are added while part of it is absorbed by the leather, the remaining chemicals are discharged along with the effluent. The effluent contains both easily biodegradable and not easily biodegradable synthetic organics like dyes, syntans. Easily biodegradable organics are removed in the existing biological treatment units whereas synthetic organics present in the wastewater are mostly adsorbed over the microbes. As the tannery effluent contains complex chemicals, it is difficult to ascertain the degradation of specific pollutants. To determine the increase in the biodegradability, one of the complex and synthetic organic chemical like dye used in the tanning operation was selected for Advanced Oxidation Process (AOPs) treatment for cleaving complex organics and its subsequent treatment in aerobic process. In the present study, Reactive Black 5 Dye used in the tanning operation was selected for Hydrogen Peroxide (H2O2) and UV/H2O2 pre-treatment for different operating conditions like pH, contact time and different volume of H2O2. A comparison was made between the untreated, Hydrogen Peroxide (H2O2) and UV/H2O2 treated effluent in order to ascertain the influence of AOP on the improvement of biodegradability of effluent. An increase in the BOD5/COD ratio from 0.21 to 0.435 was achieved in the UV/H2O2 pre-treatment process. This pre-treated effluent was further subjected to aerobic process. Biochemical Oxygen Demand (BOD5) and Chemical Oxygen Demand (COD) removal efficiency of the UV/H2O2 pre-treated dye solution in the aerobic process was found to be 86.39% and 77.82% when compared to 52.43% of BOD5 and 51.55% of COD removal efficiency without any pre-treatment. Hence from these results, to increase the biodegradability of Reactive Black 5 dye pre-treatment methods like H2O2 and UV/H2O2 can be used prior to biological treatment process.

Waste Water Management and Infectious Disease. Part II: Impact of Waste Water Treatment

ERIC Educational Resources Information Center

Cooper, Robert C.

1975-01-01

The ability of various treatment processes, such as oxidation ponds, chemical coagulation and filtration, and the soil mantle, to remove the agents of infectious disease found in waste water is discussed. The literature concerning the efficiency of removal of these organisms by various treatment processes is reviewed. (BT)

Effects of air injection during sap processing on maple syrup color, chemical composition and flavor volatiles.

USDA-ARS?s Scientific Manuscript database

Air injection (AI) is a maple sap processing technology reported to increase the efficiency of maple syrup production by increasing production of more economically valuable light-colored maple syrup, and reducing development of loose scale mineral precipitates in syrup, and scale deposits on evapora...

Solid-Liquid and Liquid-Liquid Mixing Laboratory for Chemical Engineering Undergraduates

ERIC Educational Resources Information Center

Pour, Sanaz Barar; Norca, Gregory Benoit; Fradette, Louis; Legros, Robert; Tanguy, Philippe A.

2007-01-01

Solid-liquid and liquid-liquid mixing experiments have been developed to provide students with a practical experience on suspension and emulsification processes. The laboratory focuses on the characterization of the process efficiency, specifically the influence of the main operating parameters and the effect of the impeller type. (Contains 2…

Application of membrane processes to alcohol-water separation: Improving the energy efficiency of biofuel production(Singapore)

EPA Science Inventory

The prospect of dwindling oil supplies, concern over the carbon balance of the planet, and the availability of waste and non-waste biomass materials has generated renewed interest in the use of fermentation processes to produce commodity chemicals and fuels. The economics of fer...

Synthesis, inhibition effects and quantum chemical studies of a novel coumarin derivative on the corrosion of mild steel in a hydrochloric acid solution.

PubMed

Al-Azawi, Khalida F; Al-Baghdadi, Shaimaa B; Mohamed, Ayad Z; Al-Amiery, Ahmed A; Abed, Talib K; Mohammed, Salam A; Kadhum, Abdul Amir H; Mohamad, Abu Bakar

2016-01-01

The acid corrosion inhibition process of mild steel in 1 M HCl by 4-[(2-amino-1, 3, 4-thiadiazol-5-yl)methoxy]coumarin (ATC), has been investigated using weight loss technique and scanning electron microscopy (SEM). ATC was synthesized, and its chemical structure was elucidated and confirmed using spectroscopic techniques (infrared and nuclear magnetic resonance spectroscopy). The results indicated that inhibition efficiencies were enhanced with an increase in concentration of inhibitor and decreased with a rise in temperature. The adsorption equilibrium constant (K) and standard free energy of adsorption (ΔGads) were calculated. Quantum chemical parameters such as highest occupied molecular orbital energy, lowest unoccupied molecular orbital energy (EHOMO and ELUMO, respectively) and dipole moment (μ) were calculated and discussed. The results showed that the corrosion inhibition efficiency increased with an increase in both the EHOMO and μ values but with a decrease in the ELUMO value. Our research show that the synthesized macromolecule represents an excellent inhibitor for materials in acidic solutions. The efficiency of this macromolecule had maximum inhibition efficiency up to 96 % at 0.5 mM and diminishes with a higher temperature degree, which is revealing of chemical adsorption. An inhibitor molecule were absorbed by metal surface and follow Langmuir isotherms low and establishes an efficient macromolecule inhibitor having excellent inhibitive properties due to entity of S (sulfur) atom, N (nitrogen) atom and O (oxygen) atom.

Stochastic study of solute transport in a nonstationary medium.

PubMed

Hu, Bill X

2006-01-01

A Lagrangian stochastic approach is applied to develop a method of moment for solute transport in a physically and chemically nonstationary medium. Stochastic governing equations for mean solute flux and solute covariance are analytically obtained in the first-order accuracy of log conductivity and/or chemical sorption variances and solved numerically using the finite-difference method. The developed method, the numerical method of moments (NMM), is used to predict radionuclide solute transport processes in the saturated zone below the Yucca Mountain project area. The mean, variance, and upper bound of the radionuclide mass flux through a control plane 5 km downstream of the footprint of the repository are calculated. According to their chemical sorption capacities, the various radionuclear chemicals are grouped as nonreactive, weakly sorbing, and strongly sorbing chemicals. The NMM method is used to study their transport processes and influence factors. To verify the method of moments, a Monte Carlo simulation is conducted for nonreactive chemical transport. Results indicate the results from the two methods are consistent, but the NMM method is computationally more efficient than the Monte Carlo method. This study adds to the ongoing debate in the literature on the effect of heterogeneity on solute transport prediction, especially on prediction uncertainty, by showing that the standard derivation of solute flux is larger than the mean solute flux even when the hydraulic conductivity within each geological layer is mild. This study provides a method that may become an efficient calculation tool for many environmental projects.

Sono-leather technology with ultrasound: a boon for unit operations in leather processing - review of our research work at Central Leather Research Institute (CLRI), India.

PubMed

Sivakumar, Venkatasubramanian; Swaminathan, Gopalaraman; Rao, Paruchuri Gangadhar; Ramasami, Thirumalachari

2009-01-01

Ultrasound is a sound wave with a frequency above the human audible range of 16 Hz to 16 kHz. In recent years, numerous unit operations involving physical as well as chemical processes are reported to have been enhanced by ultrasonic irradiation. There have been benefits such as improvement in process efficiency, process time reduction, performing the processes under milder conditions and avoiding the use of some toxic chemicals to achieve cleaner processing. These could be a better way of augmentation for the processes as an advanced technique. The important point here is that ultrasonic irradiation is physical method activation rather than using chemical entities. Detailed studies have been made in the unit operations related to leather such as diffusion rate enhancement through porous leather matrix, cleaning, degreasing, tanning, dyeing, fatliquoring, oil-water emulsification process and solid-liquid tannin extraction from vegetable tanning materials as well as in precipitation reaction in wastewater treatment. The fundamental mechanism involved in these processes is ultrasonic cavitation in liquid media. In addition to this there also exist some process specific mechanisms for the enhancement of the processes. For instance, possible real-time reversible pore-size changes during ultrasound propagation through skin/leather matrix could be a reason for diffusion rate enhancement in leather processing as reported for the first time. Exhaustive scientific research work has been carried out in this area by our group working in Chemical Engineering Division of CLRI and most of these benefits have been proven with publications in valued peer-reviewed international journals. The overall results indicate that about 2-5-fold increase in the process efficiency due to ultrasound under the given process conditions for various unit operations with additional benefits. Scale-up studies are underway for converting these concepts in to a real viable larger scale operation. In the present paper, summary of our research findings from employing this technique in various unit operations such as cleaning, diffusion, emulsification, particle-size reduction, solid-liquid leaching (tannin and natural dye extraction) as well as precipitation has been presented.

A review of engineering aspects of intensification of chemical synthesis using ultrasound.

PubMed

Sancheti, Sonam V; Gogate, Parag R

2017-05-01

Cavitation generated using ultrasound can enhance the rates of several chemical reactions giving better selectivity based on the physical and chemical effects. The present review focuses on overview of the different reactions that can be intensified using ultrasound followed by the discussion on the chemical kinetics for ultrasound assisted reactions, engineering aspects related to reactor designs and effect of operating parameters on the degree of intensification obtained for chemical synthesis. The cavitational effects in terms of magnitudes of collapse temperatures and collapse pressure, number of free radicals generated and extent of turbulence are strongly dependent on the operating parameters such as ultrasonic power, frequency, duty cycle, temperature as well as physicochemical parameters of liquid medium which controls the inception of cavitation. Guidelines have been presented for the optimum selection based on the critical analysis of the existing literature so that maximum process intensification benefits can be obtained. Different reactor designs have also been analyzed with guidelines for efficient scale up of the sonochemical reactor, which would be dependent on the type of reaction, controlling mechanism of reaction, catalyst and activation energy requirements. Overall, it has been established that sonochemistry offers considerable potential for green and sustainable processing and efficient scale up procedures are required so as to harness the effects at actual commercial level. Copyright © 2016 Elsevier B.V. All rights reserved.

Biocatalyzed processes for production of commodity chemicals: Assessment of future research advances for N-butanol production

NASA Technical Reports Server (NTRS)

Ingham, J. D.

1984-01-01

This report is a summary of assessments by Chem Systems Inc. and a further evaluation of the impacts of research advances on energy efficiency and the potential for future industrial production of acetone-butanol-ethanol (ABE) solvents and other products by biocatalyzed processes. Brief discussions of each of the assessments made by CSI, followed by estimates of minimum projected energy consumption and costs for production of solvents by ABE biocatalyzed processes are included. These assessments and further advances discussed in this report show that substantial decreases in energy consumption and costs are possible on the basis of specific research advances; therefore, it appears that a biocatalyzed process for ABE can be developed that will be competitive with conventional petrochemical processes for production of n-butanol and acetone. (In this work, the ABE process was selected and utilized only as an example for methodology development; other possible bioprocesses for production of commodity chemicals are not intended to be excluded.) It has been estimated that process energy consumption can be decreased by 50%, with a corresponding cost reduction of 15-30% (in comparison with a conventional petrochemical process) by increasing microorganism tolerance to n-butanol and efficient recovery of product solvents from the vapor phase.

Evaluation of toxicity of ‘Vatsanabha’ (Aconitum ferox, Ranunculaceae) Before and After Shodhana

PubMed Central

Deore, S.L.; Moon, K.V.; Khadabadi, S.S.; Deokate, U.A.; Baviskar, B.A.

2013-01-01

Ayurvedic preparations contain toxic elements like heavy metals and other chemicals exceeding their permissible limits. Ayurvedic method of detoxification of such products involves Shodhana. Hence, in present paper it has been decided to replace Ayurvedic Shodhana process by chemical purification method and to study the benefits and/or drawbacks of the traditional Ayurvedic Shodhana process. Crude aconite root, Ayurvedic Shodhana treated aconite root and chemical Shodhana treated aconite root samples were evaluated for toxicity and changes by animal studies and thin layer chromatography (TLC) respectively. The results of the toxicity study suggest that the modified method of Shodhana is less efficient as compared to the traditional Ayurvedic Shodhana process. TLC studies have shown that pseudoaconitine and aconitine were converted into far less toxic substances like veratroyl pseudoaconine and benzoylaconine respectively only in traditional Ayurvedic Shodhana. PMID:24023444

High-yielding continuous-flow synthesis of antimalarial drug hydroxychloroquine

PubMed Central

Telang, Nakul S; Kong, Caleb J; Verghese, Jenson; Gilliland III, Stanley E; Ahmad, Saeed; Dominey, Raymond N

2018-01-01

Numerous synthetic methods for the continuous preparation of fine chemicals and active pharmaceutical ingredients (API’s) have been reported in recent years resulting in a dramatic improvement in process efficiencies. Herein we report a highly efficient continuous synthesis of the antimalarial drug hydroxychloroquine (HCQ). Key improvements in the new process include the elimination of protecting groups with an overall yield improvement of 52% over the current commercial process. The continuous process employs a combination of packed bed reactors with continuous stirred tank reactors for the direct conversion of the starting materials to the product. This high-yielding, multigram-scale continuous synthesis provides an opportunity to achieve increase global access to hydroxychloroquine for treatment of malaria. PMID:29623120

Development of high efficiency thin film polycrystalline silicon solar cells using VEST process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ishihara, T.; Arimoto, S.; Morikawa, H.

1998-12-31

Thin film Si solar cell has been developed using Via-hole Etching for the Separation of Thin films (VEST) process. The process is based on SOI technology of zone-melting recrystallization (ZMR) followed by chemical vapor deposition (CVD), separation of thin film, and screen printing. Key points for achieving high efficiency are (1) quality of Si films, (2) back surface emitter (BSE), (3) front surface emitter etch-back process, (4) back surface field (BSF) layer thickness and its resistivity, and (5) defect passivation by hydrogen implantation. As a result of experiments, the authors have achieved 16% efficiency (V{sub oc}:0.589V, J{sub sc}:35.6mA/cm{sup 2}, F,F:0.763)more » with a cell size of 95.8cm{sup 2} and the thickness of 77 {micro}m. It is the highest efficiency ever reported for large area thin film Si solar cells.« less

Control of Cryptosporidium with wastewater treatment to prevent its proliferation in the water cycle.

PubMed

Suwa, M; Suzuki, Y

2003-01-01

The outbreak of Cryptosporidiosis in 1996 in Japan is thought to have been enlarged by the proliferation of Cryptosporidium in the water cycle from wastewater to drinking water through the river system. From this experience, the wastewater system must have functions to remove Cryptosporidium oocysts effectively. Efficiencies of wastewater treatment processes to remove oocysts were investigated using pilot plants receiving municipal wastewater. An activated sludge process and a following sand filter showed removal efficiencies of 2 log and 0.5 log, respectively. Poly-aluminium chloride dosage improved the efficiencies by 3 log for the activated sludge process and by 2 log for the sand filter. Chemical precipitation of raw wastewater with poly-aluminium chloride could achieve 1 to 3 log removal according on the coagulant concentration.

Effects of chemical composition of fly ash on efficiency of metal separation in ash-melting of municipal solid waste

DOE Office of Scientific and Technical Information (OSTI.GOV)

Okada, Takashi, E-mail: t-okada@u-fukui.ac.jp; Tomikawa, Hiroki

2013-03-15

Highlights: ► Separation of Pb and Zn from Fe and Cu in ash-melting of municipal solid waste. ► Molar ratio of Cl to Na and K in fly ash affected the metal-separation efficiency. ► The low molar ratio and a non-oxidative atmosphere were better for the separation. - Abstract: In the process of metal separation by ash-melting, Fe and Cu in the incineration residue remain in the melting furnace as molten metal, whereas Pb and Zn in the residue are volatilized. This study investigated the effects of the chemical composition of incineration fly ash on the metal-separation efficiency of themore » ash-melting process. Incineration fly ash with different chemical compositions was melted with bottom ash in a lab-scale reactor, and the efficiency with which Pb and Zn were volatilized preventing the volatilization of Fe and Cu was evaluated. In addition, the behavior of these metals was simulated by thermodynamic equilibrium calculations. Depending on the exhaust gas treatment system used in the incinerator, the relationships among Na, K, and Cl concentrations in the incineration fly ash differed, which affected the efficiency of the metal separation. The amounts of Fe and Cu volatilized decreased by the decrease in the molar ratio of Cl to Na and K in the ash, promoting metal separation. The thermodynamic simulation predicted that the chlorination volatilization of Fe and Cu was prevented by the decrease in the molar ratio, as mentioned before. By melting incineration fly ash with the low molar ratio in a non-oxidative atmosphere, most of the Pb and Zn in the ash were volatilized leaving behind Fe and Cu.« less

Control of chemical dynamics by lasers: theoretical considerations.

PubMed

Kondorskiy, Alexey; Nanbu, Shinkoh; Teranishi, Yoshiaki; Nakamura, Hiroki

2010-06-03

Theoretical ideas are proposed for laser control of chemical dynamics. There are the following three elementary processes in chemical dynamics: (i) motion of the wave packet on a single adiabatic potential energy surface, (ii) excitation/de-excitation or pump/dump of wave packet, and (iii) nonadiabatic transitions at conical intersections of potential energy surfaces. A variety of chemical dynamics can be controlled, if we can control these three elementary processes as we desire. For (i) we have formulated the semiclassical guided optimal control theory, which can be applied to multidimensional real systems. The quadratic or periodic frequency chirping method can achieve process (ii) with high efficiency close to 100%. Concerning process (iii) mentioned above, the directed momentum method, in which a predetermined momentum vector is given to the initial wave packet, makes it possible to enhance the desired transitions at conical intersections. In addition to these three processes, the intriguing phenomenon of complete reflection in the nonadiabatic-tunneling-type of potential curve crossing can also be used to control a certain class of chemical dynamics. The basic ideas and theoretical formulations are provided for the above-mentioned processes. To demonstrate the effectiveness of these controlling methods, numerical examples are shown by taking the following processes: (a) vibrational photoisomerization of HCN, (b) selective and complete excitation of the fine structure levels of K and Cs atoms, (c) photoconversion of cyclohexadiene to hexatriene, and (d) photodissociation of OHCl to O + HCl.

Using a low melting solvent mixture to extract value from wood biomass

NASA Astrophysics Data System (ADS)

Hiltunen, Jaakko; Kuutti, Lauri; Rovio, Stella; Puhakka, Eini; Virtanen, Tommi; Ohra-Aho, Taina; Vuoti, Sauli

2016-09-01

Green chemistry, sustainability and eco-efficiency are guiding the development of the next generation of industrial chemical processes. The use of non-edible lignocellulosic biomass as a source of chemicals and fuels has recently raised interest due to the need for an alternative to fossil resources. Valorisation mainly focuses on cellulose, which has been used for various industrial scale applications for decades. However, creating an economically more viable value chain would require the exploitation of the other main components, hemicellulose and lignin. Here, we present a new low melting mixture composition based in boric acid and choline chloride, and demonstrate its efficiency in the fractionation of wood-based biomass for the production of non-condensed lignin, suitable for further use in the search for sustainable industrial applications, and for the selective conversion of hemicelluloses into valuable platform chemicals.

Electrocoagulation efficiency of the tannery effluent treatment using aluminium electrodes.

PubMed

Espinoza-Quiñones, Fernando R; Fornari, Marilda M T; Módenes, Aparecido N; Palácio, Soraya M; Trigueros, Daniela E G; Borba, Fernando H; Kroumov, Alexander D

2009-01-01

An electro-coagulation laboratory scale system using aluminium plates electrodes was studied for the removal of organic and inorganic pollutants as a by-product from leather finishing industrial process. A fractional factorial 2(3) experimental design was applied in order to obtain optimal values of the system state variables. The electro-coagulation (EC) process efficiency was based on the chemical oxygen demand (COD), turbidity, total suspended solid, total fixed solid, total volatile solid, and chemical element concentration values. Analysis of variance (ANOVA) for final pH, total fixed solid (TFS), turbidity and Ca concentration have confirmed the predicted models by the experimental design within a 95% confidence level. The reactor working conditions close to real effluent pH (7.6) and electrolysis time in the range 30-45 min were enough to achieve the cost effective reduction factors of organic and inorganic pollutants' concentrations. An appreciable improvement in COD removal efficiency was obtained for electro-coagulation treatment. Finally, the technical-economical analysis results have clearly shown that the electro-coagulation method is very promising for industrial application.

Advanced treatment of biologically pretreated coal chemical industry wastewater using the catalytic ozonation process combined with a gas-liquid-solid internal circulating fluidized bed reactor.

PubMed

Li, Zhipeng; Liu, Feng; You, Hong; Ding, Yi; Yao, Jie; Jin, Chao

2018-04-01

This paper investigated the performance of the combined system of catalytic ozonation and the gas-liquid-solid internal circulating fluidized bed reactor for the advanced treatment of biologically pretreated coal chemical industry wastewater (CCIW). The results indicated that with ozonation alone for 60min, the removal efficiency of chemical oxygen demand (COD) could reach 34%. The introduction of activated carbon, pumice, γ-Al 2 O 3 carriers improved the removal performance of COD, and the removal efficiency was increased by 8.6%, 4.2%, 2%, respectively. Supported with Mn, the catalytic performance of activated carbon and γ-Al 2 O 3 were improved significantly with COD removal efficiencies of 46.5% and 41.3%, respectively; however, the promotion effect of pumice supported with Mn was insignificant. Activated carbon supported with Mn had the best catalytic performance. The catalytic ozonation combined system of MnO X /activated carbon could keep ozone concentration at a lower level in the liquid phase, and promote the transfer of ozone from the gas phase to the liquid phase to improve ozonation efficiency.

An 8.68% efficiency chemically-doped-free graphene-silicon solar cell using silver nanowires network buried contacts.

PubMed

Yang, Lifei; Yu, Xuegong; Hu, Weidan; Wu, Xiaolei; Zhao, Yan; Yang, Deren

2015-02-25

Graphene-silicon (Gr-Si) heterojunction solar cells have been recognized as one of the most low-cost candidates in photovoltaics due to its simple fabrication process. However, the high sheet resistance of chemical vapor deposited (CVD) Gr films is still the most important limiting factor for the improvement of the power conversion efficiency of Gr-Si solar cells, especially in the case of large device-active area. In this work, we have fabricated a novel transparent conductive film by hybriding a monolayer Gr film with silver nanowires (AgNWs) network soldered by the graphene oxide (GO) flakes. This Gr-AgNWs hybrid film exhibits low sheet resistance and larger direct-current to optical conductivity ratio, quite suitable for solar cell fabrication. An efficiency of 8.68% has been achieved for the Gr-AgNWs-Si solar cell, in which the AgNWs network acts as buried contacts. Meanwhile, the Gr-AgNWs-Si solar cells have much better stability than the chemically doped Gr-Si solar cells. These results show a new route for the fabrication of high efficient and stable Gr-Si solar cells.

Toxicology in the 21st Century (Tox21)

EPA Pesticide Factsheets

Tox21 researchers aim to develop better toxicity assessment methods to quickly and efficiently test whether certain chemical compounds have the potential to disrupt processes in the human body that may lead to negative health effects.

Toxicology Testing in the 21st Century (Tox21)

EPA Pesticide Factsheets

Tox21 researchers aim to develop better toxicity assessment methods to quickly and efficiently test whether certain chemical compounds have the potential to disrupt processes in the human body that may lead to negative health effects.

Chemical Stabilization of Perovskite Solar Cells with Functional Fulleropyrrolidines

PubMed Central

2017-01-01

While perovskite solar cells have invigorated the photovoltaic research community due to their excellent power conversion efficiencies (PCEs), these devices notably suffer from poor stability. To address this crucial issue, a solution-processable organic chemical inhibition layer (OCIL) was integrated into perovskite solar cells, resulting in improved device stability and a maximum PCE of 16.3%. Photoenhanced self-doping of the fulleropyrrolidine mixture in the interlayers afforded devices that were advantageously insensitive to OCIL thickness, ranging from 4 to 190 nm. X-ray photoelectron spectroscopy (XPS) indicated that the fulleropyrrolidine mixture improved device stability by stabilizing the metal electrode and trapping ionic defects (i.e., I–) that originate from the perovskite active layer. Moreover, degraded devices were rejuvenated by repeatedly peeling away and replacing the OCIL/Ag electrode, and this repeel and replace process resulted in further improvement to device stability with minimal variation of device efficiency. PMID:29532021

Chemical Stabilization of Perovskite Solar Cells with Functional Fulleropyrrolidines.

PubMed

Liu, Yao; Page, Zachariah A; Zhou, Dongming; Duzhko, Volodimyr V; Kittilstved, Kevin R; Emrick, Todd; Russell, Thomas P

2018-02-28

While perovskite solar cells have invigorated the photovoltaic research community due to their excellent power conversion efficiencies (PCEs), these devices notably suffer from poor stability. To address this crucial issue, a solution-processable organic chemical inhibition layer (OCIL) was integrated into perovskite solar cells, resulting in improved device stability and a maximum PCE of 16.3%. Photoenhanced self-doping of the fulleropyrrolidine mixture in the interlayers afforded devices that were advantageously insensitive to OCIL thickness, ranging from 4 to 190 nm. X-ray photoelectron spectroscopy (XPS) indicated that the fulleropyrrolidine mixture improved device stability by stabilizing the metal electrode and trapping ionic defects (i.e., I - ) that originate from the perovskite active layer. Moreover, degraded devices were rejuvenated by repeatedly peeling away and replacing the OCIL/Ag electrode, and this repeel and replace process resulted in further improvement to device stability with minimal variation of device efficiency.

Seamless integration of dose-response screening and flow chemistry: efficient generation of structure-activity relationship data of β-secretase (BACE1) inhibitors.

PubMed

Werner, Michael; Kuratli, Christoph; Martin, Rainer E; Hochstrasser, Remo; Wechsler, David; Enderle, Thilo; Alanine, Alexander I; Vogel, Horst

2014-02-03

Drug discovery is a multifaceted endeavor encompassing as its core element the generation of structure-activity relationship (SAR) data by repeated chemical synthesis and biological testing of tailored molecules. Herein, we report on the development of a flow-based biochemical assay and its seamless integration into a fully automated system comprising flow chemical synthesis, purification and in-line quantification of compound concentration. This novel synthesis-screening platform enables to obtain SAR data on b-secretase (BACE1) inhibitors at an unprecedented cycle time of only 1 h instead of several days. Full integration and automation of industrial processes have always led to productivity gains and cost reductions, and this work demonstrates how applying these concepts to SAR generation may lead to a more efficient drug discovery process. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eun, H.C.; Cho, Y.Z.; Choi, J.H.

A regeneration process of LiCl-KCl eutectic waste salt generated from the pyrochemical process of spent nuclear fuel has been studied. This regeneration process is composed of a chemical conversion process and a vacuum distillation process. Through the regeneration process, a high efficiency of renewable salt recovery can be obtained from the waste salt and rare earth nuclides in the waste salt can be separated as oxide or phosphate forms. Thus, the regeneration process can contribute greatly to a reduction of the waste volume and a creation of durable final waste forms. (authors)

Factors Affecting Aerosol Radiative Forcing from Both Production-based and Consumption-based View

NASA Astrophysics Data System (ADS)

Wang, J.; Lin, J.; Ni, R.

2017-12-01

Aerosol radiative forcing (RF) is determined by emissions and various chemical-transport-radiative processes in the atmosphere, a multi-factor problem whose individual contributors have not been well quantified. This problem becomes more complicated when taking into account the role of international trade, which means reallocated aerosol RF due to separation of regions producing goods and emissions and regions consuming those goods. Here we analyze major factors affecting RF of secondary inorganic aerosols (SIOAs, including sulfate, nitrate and ammonium), primary organic aerosol (POA) and black carbon (BC), extending the work of Lin et al. (2016, Nature Geoscience). We contrast five factors determining production-based (RFp, due to a region's production of goods) and consumption-based (RFc, due to a region's consumption) forcing by 11 major regions, including population size, per capita output, emission intensity (emission per output), chemical efficiency (mass per unit emission) and radiative efficiency (RF per unit mass). Comparing across the 11 regions, East Asia produces the strongest RFp and RFc of SIOA and BC and the second largest RFp and RFc of POA primarily due to its high emission intensity. Although Middle East and North Africa has low emissions, its RFp is strengthened by its largest chemical efficiency for POA and BC and second largest chemical efficiency for SIOA. However, RFp of South-East Asia and Pacific is greatly weakened by its lowest chemical efficiency. Economic trade means that net importers (Western Europe, North America and Pacific OECD) have higher RFc than RFp by 50-100%. And such forcing difference is mainly due to the high emission intensity of the exporters supplying these regions. For North America, SIOA's RFc is 50% stronger than RFp, for that emission intensity of SIOA is 5.2 times in East Asia and 2.5 times in Latin America and Caribbean compared with that in North America, and the chemical efficiency in the top four exporters are 1.4-2.1 times of North America. For East Asia, the RFc of SIOA is 20% lower than RFp due to the relatively low emission intensity and chemical efficiency of the top two exporters (Pacific OECD and Western Europe). Overall, economic, emission and atmospheric factors all play important roles in differentiating regions' RFp and RFc.

[Remediation efficiency of lead-contaminated soil at an industrial site by ultrasonic-assisted chemical extraction].

PubMed

Wang, Xin-jie; Huang, Jin-lou; Liu, Zhi-qiang; Yue, Xi

2013-09-01

This research chose five lead-contaminated sites of a lead-acid battery factory to analyze the speciation distribution and concentration of lead. Under the same conditions (0.1 mol x L(-1) EDTA,30 min, 25 degrees C), the removal effect of heavy metal was compared between ultrasonic-assisted chemical extraction (UCE) and conventional chemical extraction ( CCE), and the variation of lead speciation was further explored. The results showed that the lead removal efficiency of UCE was significantly better than CCE. The lead removal efficiency of WS, A, B, C and BZ was 10.06%, 48.29%, 48.69%, 53.28% and 36.26% under CCE. While the removal efficiency of the UCE was 22.42%, 69.31%, 71.00%, 74.49% and 71.58%, with the average efficiency higher by 22%. By comparing the speciation distribution of the two washing methods, it was found that the acid extractable content maintained or decreased after UCE, whereas it showed an increasing trend after CCE. The reduction effect of the reducible was as high as 98% by UCE. UCE also showed a more efficient reduction effect of the organic matter-sulfite bounded form and the residual form. Hence, it is feasible to improve the washing efficiency of heavy metal contained in soil by conducting the cleaning process with the help of ultrasonic wave, which is a simple and fast mean to remove lead from contaminated sites.

Adsorptive separation in bioprocess engineering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, E.W.Y.

1987-01-01

The invention and development of an energy-efficient separation technique for recovery of desired chemicals from biomass conversion would greatly enhance the economic viability of this bioprocess. Adsorptive separation of several chemicals from aqueous solution was studied in this thesis. The desired species were recovered from the dilute aqueous solution by using crosslinked polyvinylpyridine resin to effect selective sorption. The sorbed chemicals were then removed from the resin by either thermal regeneration or elution with some appropriate desorbents. The effects of temperature, pH value, and solute concentration on resin swelling were investigated. The adsorption equilibrium isotherms, resin capacities and resin selectivitiesmore » of methanol, ethanol, 1-propanol, isopropanol, glycerol, acetone, 1-butanol, tert-butanol, and 2,3-butanediol were determined to study the homologies. Furthermore, acetic acid, butyric acid, hydrochloric acid, lactic acid, and sulfuric acid were recovered from very dilute aqueous solutions. The concentration of the sorbed chemical in the stationary phase can be many times higher than in the mobile phase for some acids. Finally, different types of equilibrium isotherms were used to fit the experimental data. A mathematical model was developed by using the theory of interference to predict the breakthrough curves and the process efficiency to provide information for large-scale process design and development.« less

Breakthrough to Non-Vacuum Deposition of Single-Crystal, Ultra-Thin, Homogeneous Nanoparticle Layers: A Better Alternative to Chemical Bath Deposition and Atomic Layer Deposition

PubMed Central

Liao, Yu-Kuang; Liu, Yung-Tsung; Hsieh, Dan-Hua; Shen, Tien-Lin; Hsieh, Ming-Yang; Tzou, An-Jye; Chen, Shih-Chen; Tsai, Yu-Lin; Lin, Wei-Sheng; Chan, Sheng-Wen; Shen, Yen-Ping; Cheng, Shun-Jen; Chen, Chyong-Hua; Wu, Kaung-Hsiung; Chen, Hao-Ming; Kuo, Shou-Yi; Charlton, Martin D. B.; Hsieh, Tung-Po; Kuo, Hao-Chung

2017-01-01

Most thin-film techniques require a multiple vacuum process, and cannot produce high-coverage continuous thin films with the thickness of a few nanometers on rough surfaces. We present a new ”paradigm shift” non-vacuum process to deposit high-quality, ultra-thin, single-crystal layers of coalesced sulfide nanoparticles (NPs) with controllable thickness down to a few nanometers, based on thermal decomposition. This provides high-coverage, homogeneous thickness, and large-area deposition over a rough surface, with little material loss or liquid chemical waste, and deposition rates of 10 nm/min. This technique can potentially replace conventional thin-film deposition methods, such as atomic layer deposition (ALD) and chemical bath deposition (CBD) as used by the Cu(In,Ga)Se2 (CIGS) thin-film solar cell industry for decades. We demonstrate 32% improvement of CIGS thin-film solar cell efficiency in comparison to reference devices prepared by conventional CBD deposition method by depositing the ZnS NPs buffer layer using the new process. The new ZnS NPs layer allows reduction of an intrinsic ZnO layer, which can lead to severe shunt leakage in case of a CBD buffer layer. This leads to a 65% relative efficiency increase. PMID:28383488

Automated workflows for modelling chemical fate, kinetics and toxicity.

PubMed

Sala Benito, J V; Paini, Alicia; Richarz, Andrea-Nicole; Meinl, Thorsten; Berthold, Michael R; Cronin, Mark T D; Worth, Andrew P

2017-12-01

Automation is universal in today's society, from operating equipment such as machinery, in factory processes, to self-parking automobile systems. While these examples show the efficiency and effectiveness of automated mechanical processes, automated procedures that support the chemical risk assessment process are still in their infancy. Future human safety assessments will rely increasingly on the use of automated models, such as physiologically based kinetic (PBK) and dynamic models and the virtual cell based assay (VCBA). These biologically-based models will be coupled with chemistry-based prediction models that also automate the generation of key input parameters such as physicochemical properties. The development of automated software tools is an important step in harmonising and expediting the chemical safety assessment process. In this study, we illustrate how the KNIME Analytics Platform can be used to provide a user-friendly graphical interface for these biokinetic models, such as PBK models and VCBA, which simulates the fate of chemicals in vivo within the body and in vitro test systems respectively. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Process Model of A Fusion Fuel Recovery System for a Direct Drive IFE Power Reactor

NASA Astrophysics Data System (ADS)

Natta, Saswathi; Aristova, Maria; Gentile, Charles

2008-11-01

A task has been initiated to develop a detailed representative model for the fuel recovery system (FRS) in the prospective direct drive inertial fusion energy (IFE) reactor. As part of the conceptual design phase of the project, a chemical process model is developed in order to observe the interaction of system components. This process model is developed using FEMLAB Multiphysics software with the corresponding chemical engineering module (CEM). Initially, the reactants, system structure, and processes are defined using known chemical species of the target chamber exhaust. Each step within the Fuel recovery system is modeled compartmentally and then merged to form the closed loop fuel recovery system. The output, which includes physical properties and chemical content of the products, is analyzed after each step of the system to determine the most efficient and productive system parameters. This will serve to attenuate possible bottlenecks in the system. This modeling evaluation is instrumental in optimizing and closing the fusion fuel cycle in a direct drive IFE power reactor. The results of the modeling are presented in this paper.

Evaluation of the Treatment Process of Landfill Leachate Using the Toxicity Assessment Method

PubMed Central

Qiu, Aifeng; Cai, Qiang; Zhao, Yuan; Guo, Yingqing; Zhao, Liqian

2016-01-01

Landfill leachate is composed of a complex composition with strong biological toxicity. The combined treatment process of coagulation and sedimentation, anaerobics, electrolysis, and aerobics was set up to treat landfill leachate. This paper explores the effect of different operational parameters of coagulation and sedimentation tanks and electrolytic cells, while investigating the combined process for the removal efficiency of physicochemical indices after processing the landfill leachate. Meanwhile, a battery of toxicity tests with Vibrio fischeri, zebrafish larvae, and embryos were conducted to evaluate acute toxicity and calculated the toxicity reduction efficiency after each treatment process. The combined treatment process resulted in a 100% removal efficiency of Cu, Cd and Zn, and a 93.50% and an 87.44% removal efficiency of Ni and Cr, respectively. The overall removal efficiency of chemical oxygen demand (COD), ammonium nitrogen (NH4+-N), and total nitrogen (TN) were 93.57%, 97.46% and 73.60%, respectively. In addition, toxicity test results showed that the acute toxicity of landfill leachate had also been reduced significantly: toxicity units (TU) decreased from 84.75 to 12.00 for zebrafish larvae, from 82.64 to 10.55 for zebrafish embryos, and from 3.41 to 0.63 for Vibrio fischeri. The combined treatment process was proved to be an efficient treatment method to remove heavy metals, COD, NH4+-N, and acute bio-toxicity of landfill leachate. PMID:28009808

Evaluation of the Treatment Process of Landfill Leachate Using the Toxicity Assessment Method.

PubMed

Qiu, Aifeng; Cai, Qiang; Zhao, Yuan; Guo, Yingqing; Zhao, Liqian

2016-12-21

Landfill leachate is composed of a complex composition with strong biological toxicity. The combined treatment process of coagulation and sedimentation, anaerobics, electrolysis, and aerobics was set up to treat landfill leachate. This paper explores the effect of different operational parameters of coagulation and sedimentation tanks and electrolytic cells, while investigating the combined process for the removal efficiency of physicochemical indices after processing the landfill leachate. Meanwhile, a battery of toxicity tests with Vibrio fischeri , zebrafish larvae, and embryos were conducted to evaluate acute toxicity and calculated the toxicity reduction efficiency after each treatment process. The combined treatment process resulted in a 100% removal efficiency of Cu, Cd and Zn, and a 93.50% and an 87.44% removal efficiency of Ni and Cr, respectively. The overall removal efficiency of chemical oxygen demand (COD), ammonium nitrogen (NH₄⁺-N), and total nitrogen (TN) were 93.57%, 97.46% and 73.60%, respectively. In addition, toxicity test results showed that the acute toxicity of landfill leachate had also been reduced significantly: toxicity units (TU) decreased from 84.75 to 12.00 for zebrafish larvae, from 82.64 to 10.55 for zebrafish embryos, and from 3.41 to 0.63 for Vibrio fischeri . The combined treatment process was proved to be an efficient treatment method to remove heavy metals, COD, NH₄⁺-N, and acute bio-toxicity of landfill leachate.

Application of integrated ozone and granular activated carbon for decolorization and chemical oxygen demand reduction of vinasse from alcohol distilleries.

PubMed

Hadavifar, Mojtaba; Younesi, Habibollah; Zinatizadeh, Ali Akbar; Mahdad, Faezeh; Li, Qin; Ghasemi, Zahra

2016-04-01

This study investigates the treatment of the distilleries vinasse using a hybrid process integrating ozone oxidation and granular activated carbons (GAC) in both batch and continuous operation mode. The batch-process studies have been carried out to optimize initial influent pH, GAC doses, the effect of the ozone (O3) and hydrogen peroxide (H2O2) concentrations on chemical oxygen demand (COD) and color removal of the distilleries vinasse. The continuous process was carried out on GAC and ozone treatment alone as well as the hybrid process comb both methods to investigate the synergism effectiveness of the two methods for distilleries vinasse COD reduction and color removal. In a continuous process, the Yan model described the experimental data better than the Thomas model. The efficiency of ozonation of the distilleries vinasse was more effective for color removal (74.4%) than COD removal (25%). O3/H2O2 process was not considerably more effective on COD and color removal. Moreover, O3/GAC process affected negatively on the removal efficiency by reducing COD and color from distilleries vinasse. The negative effect decreased by increasing pH value of the influent. Copyright © 2016 Elsevier Ltd. All rights reserved.

Process Analyzer

NASA Technical Reports Server (NTRS)

1994-01-01

The ChemScan UV-6100 is a spectrometry system originally developed by Biotronics Technologies, Inc. under a Small Business Innovation Research (SBIR) contract. It is marketed to the water and wastewater treatment industries, replacing "grab sampling" with on-line data collection. It analyzes the light absorbance characteristics of a water sample, simultaneously detects hundreds of individual wavelengths absorbed by chemical substances in a process solution, and quantifies the information. Spectral data is then processed by ChemScan analyzer and compared with calibration files in the system's memory in order to calculate concentrations of chemical substances that cause UV light absorbance in specific patterns. Monitored substances can be analyzed for quality and quantity. Applications include detection of a variety of substances, and the information provided enables an operator to control a process more efficiently.

Management of wastewater from the vegetable dehydration industry in Egypt--a case study.

PubMed

El-Gohary, Fatma; El-Kamah, Hala; Abdel Wahaab, Rifaat; Mahmoud, Mohamed; Ibrahim, Hamdy A

2012-01-01

Management of wastewater from the vegetable dehydration industry was the subject of this study. A continuous monitoring programme for wastewater was carried out for almost four months. The characterization of the wastewater indicated that the vegetable dehydration wastewater contains moderate concentrations of organics, solids and nutrients. The wastewater was subjected to three different treatment processes, namely aerobic treatment, anaerobic treatment and chemical coagulation-flocculation treatment. For aerobic treatment, the removal of chemical oxygen demand (COD), biochemical oxygen demand (BOD5) and total suspended solids (TSS) was accomplished within 5 h, and no further reduction was observed after that, with the steady state COD and BOD5 removal efficiencies being 95% +/- 10% and 97% +/- 8%, respectively. For anaerobic treatment, the removal efficiencies for COD, BOD5 and TSS were 67-81%, 70-86% and 56-69%, respectively at hydraulic retention times (HRTs) of 5, 6 and 8 h. Chemical coagulation-flocculation treatment also achieved good results. The COD removal efficiency was 72%, 51% and 75% for ferric chloride (56 g/m3 of wastewater), lime (140 g/m3 of wastewater) and ferric chloride aided with lime (100 g/m3 for ferric chloride and 200 g/m3 for lime), respectively. The corresponding TSS removal values were 92% +/- 17%, 20% +/- 7% and 93% +/- 9%. Based on the available results and the seasonally operated mode of this industry in Egypt, the chemical coagulation-flocculation process is therefore considered to be moste applicable from a technical point of view and for the simplicity of operation and maintenance.

Process modelling of biomass conversion to biofuels with combined heat and power.

PubMed

Sharma, Abhishek; Shinde, Yogesh; Pareek, Vishnu; Zhang, Dongke

2015-12-01

A process model has been developed to study the pyrolysis of biomass to produce biofuel with heat and power generation. The gaseous and solid products were used to generate heat and electrical power, whereas the bio-oil was stored and supplied for other applications. The overall efficiency of the base case model was estimated for conversion of biomass into useable forms of bio-energy. It was found that the proposed design is not only significantly efficient but also potentially suitable for distributed operation of pyrolysis plants having centralised post processing facilities for production of other biofuels and chemicals. It was further determined that the bio-oil quality improved using a multi-stage condensation system. However, the recycling of flue gases coming from combustor instead of non-condensable gases in the pyrolyzer led to increase in the overall efficiency of the process with degradation of bio-oil quality. Copyright © 2015 Elsevier Ltd. All rights reserved.

Coupling chemical and biological catalysis: a flexible paradigm for producing biobased chemicals.

PubMed

Schwartz, Thomas J; Shanks, Brent H; Dumesic, James A

2016-04-01

Advances in metabolic engineering have allowed for the development of new biological catalysts capable of selectively de-functionalizing biomass to yield platform molecules that can be upgraded to biobased chemicals using high efficiency continuous processing allowed by heterogeneous chemical catalysis. Coupling these disciplines overcomes the difficulties of selectively activating COH bonds by heterogeneous chemical catalysis and producing petroleum analogues by biological catalysis. We show that carboxylic acids, pyrones, and alcohols are highly flexible platforms that can be used to produce biobased chemicals by this approach. More generally, we suggest that molecules with three distinct functionalities may represent a practical upper limit on the extent of functionality present in the platform molecules that serve as the bridge between biological and chemical catalysis. Copyright © 2016 Elsevier Ltd. All rights reserved.

Heterogeneous Catalysis: A Central Science for a Sustainable Future.

PubMed

Friend, Cynthia M; Xu, Bingjun

2017-03-21

Developing active, selective, and energy efficient heterogeneous catalytic processes is key to a sustainable future because heterogeneous catalysis is at the center of the chemicals and energy industries. The design, testing, and implementation of robust and selective heterogeneous catalytic processes based on insights from fundamental studies could have a tremendous positive impact on the world.

Hydrodynamic cavitation as a strategy to enhance the efficiency of lignocellulosic biomass pretreatment.

PubMed

Terán Hilares, Ruly; Ramos, Lucas; da Silva, Silvio Silvério; Dragone, Giuliano; Mussatto, Solange I; Santos, Júlio César Dos

2018-06-01

Hydrodynamic cavitation (HC) is a process technology with potential for application in different areas including environmental, food processing, and biofuels production. Although HC is an undesirable phenomenon for hydraulic equipment, the net energy released during this process is enough to accelerate certain chemical reactions. The application of cavitation energy to enhance the efficiency of lignocellulosic biomass pretreatment is an interesting strategy proposed for integration in biorefineries for the production of bio-based products. Moreover, the use of an HC-assisted process was demonstrated as an attractive alternative when compared to other conventional pretreatment technologies. This is not only due to high pretreatment efficiency resulting in high enzymatic digestibility of carbohydrate fraction, but also, by its high energy efficiency, simple configuration, and construction of systems, besides the possibility of using on the large scale. This paper gives an overview regarding HC technology and its potential for application on the pretreatment of lignocellulosic biomass. The parameters affecting this process and the perspectives for future developments in this area are also presented and discussed.

Impact of food processing and detoxification treatments on mycotoxin contamination.

PubMed

Karlovsky, Petr; Suman, Michele; Berthiller, Franz; De Meester, Johan; Eisenbrand, Gerhard; Perrin, Irène; Oswald, Isabelle P; Speijers, Gerrit; Chiodini, Alessandro; Recker, Tobias; Dussort, Pierre

2016-11-01

Mycotoxins are fungal metabolites commonly occurring in food, which pose a health risk to the consumer. Maximum levels for major mycotoxins allowed in food have been established worldwide. Good agricultural practices, plant disease management, and adequate storage conditions limit mycotoxin levels in the food chain yet do not eliminate mycotoxins completely. Food processing can further reduce mycotoxin levels by physical removal and decontamination by chemical or enzymatic transformation of mycotoxins into less toxic products. Physical removal of mycotoxins is very efficient: manual sorting of grains, nuts, and fruits by farmers as well as automatic sorting by the industry significantly lowers the mean mycotoxin content. Further processing such as milling, steeping, and extrusion can also reduce mycotoxin content. Mycotoxins can be detoxified chemically by reacting with food components and technical aids; these reactions are facilitated by high temperature and alkaline or acidic conditions. Detoxification of mycotoxins can also be achieved enzymatically. Some enzymes able to transform mycotoxins naturally occur in food commodities or are produced during fermentation but more efficient detoxification can be achieved by deliberate introduction of purified enzymes. We recommend integrating evaluation of processing technologies for their impact on mycotoxins into risk management. Processing steps proven to mitigate mycotoxin contamination should be used whenever necessary. Development of detoxification technologies for high-risk commodities should be a priority for research. While physical techniques currently offer the most efficient post-harvest reduction of mycotoxin content in food, biotechnology possesses the largest potential for future developments.

Process for converting cellulosic materials into fuels and chemicals

DOEpatents

Scott, C.D.; Faison, B.D.; Davison, B.H.; Woodward, J.

1994-09-20

A process is described for converting cellulosic materials, such as waste paper, into fuels and chemicals utilizing enzymatic hydrolysis of the major constituent of paper, cellulose. A waste paper slurry is contacted by cellulase in an agitated hydrolyzer. The cellulase is produced from a continuous, columnar, fluidized-bed bioreactor utilizing immobilized microorganisms. An attrition mill and a cellobiase reactor are coupled to the agitated hydrolyzer to improve reaction efficiency. The cellulase is recycled by an adsorption process. The resulting crude sugars are converted to dilute product in a fluidized-bed bioreactor utilizing microorganisms. The dilute product is concentrated and purified by utilizing distillation and/or a biparticle fluidized-bed bioreactor system. 1 fig.

Fruit pomace as a fuel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mason, N.; Davis, D.C.; Hyde, G.M.

1983-12-01

In this study the solid waste (pomace) from grape and apple juice processing was chemically analyzed to determine high heating value. Grape pomace combustion was simulated at several excess air levels and combustion products were analyzed. Then grape pomace was actually burned in a concentric vortex furnace at several levels of excess air to determine combustion efficiency and to confirm flue gas pollutant characteristics. The results show that apple and grape pomace are chemically similar to wood from the combustion standpoint and that furnace slagging is not a problem because the ash fusion temperatures are considerably higher than combustion temperatures.more » The grape pomace burned at efficiencies of 44 to 61 percent with only low pollution hazard.« less

Micromotors for "Chemistry-on-the-Fly".

PubMed

Karshalev, Emil; Esteban-Fernández de Ávila, Berta; Wang, Joseph

2018-03-21

This perspective reviews mobile micro/nanomotor scaffolds for performing "chemistry-on-the-fly". Synthetic nano/micromotors offer great versatility and distinct advantages in diverse chemical applications owing to their efficient propulsion and facile surface functionalization that allow these mobile platforms to move and disperse reactive materials across the solution. Such dynamic microreactors have led to accelerated chemical processes, including organic pollutant degradation, metal chelation, biorecognition, redox chemistry, chemical "writing", and a variety of other chemical transformations. Representative examples of such micromotor-enhanced chemical reactions are discussed, focusing on the specific chemical role of these mobile microreactors. The advantages, gaps and limitations of using micromotors as mobile chemical platforms are discussed, concluding with the future prospects of this emerging field. We envision that artificial nano/micromotors will become attractive dynamic tools for speeding up and enhancing "on-the-fly" chemical reactions.

Fenton-like reaction: a possible way to efficiently remove illicit drugs and pharmaceuticals from wastewater.

PubMed

Mackuľak, Tomáš; Mosný, Michal; Grabic, Roman; Golovko, Oksana; Koba, Olga; Birošová, Lucia

2015-03-01

We analyzed 13 psychoactive pharmaceuticals, illicit drugs and their metabolites in wastewater treatment plant influent and effluent and the possibility of their degradation by biological and chemical processes. Tramadol (413-853 ng/L) and methamphetamine (460-682 ng/L) were the most concentrated compounds in the wastewater in winter and summer, respectively. A significant decrease in the concentration of tramadol in wastewater was measured during the summer. The lowest efficiency was observed for tramadol, venlafaxine, citalopram and oxazepam (∼ 10%) and the highest efficiency was observed for amphetamine and THC-COOH (∼ 80%). The efficiency of compound degradation via the Fenton reaction, a modified Fenton reaction and different degradation (by algae, wood-rotting fungi and enzymes at influent versus effluent) was determined. The Fenton reaction and its modification were efficient at eliminating these substances in comparison with the tested biological processes. Copyright © 2015 Elsevier B.V. All rights reserved.

Exciton Hybridisation in Organic-Inorganic Semiconductor Microcavities

DTIC Science & Technology

2002-02-01

hybridizing organic and inorganic semiconductors in microcavities to produce a highly efficient light source that could be either a laser or a very efficient...such process may also have an important effect on the spectral distribution of photoluminescence from the microcavity and can be considered as a...Absorption (solid dots) and photoluminescence emission (open circles) of a thin film of J-aggregated cyanine dyes in a PVA matrix. Note, the chemical

Impact of NiB Coating on the Efficiency, Scuffing, and Wear of Gear Contacts

DTIC Science & Technology

2013-05-01

required for gear applications. 15. SUBJECT TERMS surface engineering, tribology , traction, wear, scuffing, transmission efficiency 16. SECURITY...force. A third thermocouple was placed inside the oil reservoir to measure supply temperature. The temperature measurements were also monitored and...in figure 7b. Similarly, a commonly used chemical polishing process was applied to a third batch of ground specimens to achieve smoother isotropic

Modeling complex chemical effects in turbulent nonpremixed combustion

NASA Technical Reports Server (NTRS)

Smith, Nigel S. A.

1995-01-01

Virtually all of the energy derived from the consumption of combustibles occurs in systems which utilize turbulent fluid motion. Since combustion is largely related to the mixing of fluids and mixing processes are orders of magnitude more rapid when enhanced by turbulent motion, efficiency criteria dictate that chemically powered devices necessarily involve fluid turbulence. Where combustion occurs concurrently with mixing at an interface between two reactive fluid bodies, this mode of combustion is called nonpremixed combustion. This is distinct from premixed combustion where flame-fronts propagate into a homogeneous mixture of reactants. These two modes are limiting cases in the range of temporal lag between mixing of reactants and the onset of reaction. Nonpremixed combustion occurs where this lag tends to zero, while premixed combustion occurs where this lag tends to infinity. Many combustion processes are hybrids of these two extremes with finite non-zero lag times. Turbulent nonpremixed combustion is important from a practical standpoint because it occurs in gas fired boilers, furnaces, waste incinerators, diesel engines, gas turbine combustors, and afterburners etc. To a large extent, past development of these practical systems involved an empirical methodology. Presently, efficiency standards and emission regulations are being further tightened (Correa 1993), and empiricism has had to give way to more fundamental research in order to understand and effectively model practical combustion processes (Pope 1991). A key element in effective modeling of turbulent combustion is making use of a sufficiently detailed chemical kinetic mechanism. The prediction of pollutant emission such as oxides of nitrogen (NO(x)) and sulphur (SO(x)) unburned hydrocarbons, and particulates demands the use of detailed chemical mechanisms. It is essential that practical models for turbulent nonpremixed combustion are capable of handling large numbers of 'stiff' chemical species equations.

Transition metal mediated transformations of small molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sen, Ayusman

Catalysis at metal centers is of great scientific, as well as practical, importance because of the high efficiency, high specificity, and low energy demands often associated with such systems. The two major themes of our research are (a) the design of metal-based systems for the synthesis of novel classes of polymers and (b) the identification of new metal-catalyzed systems for the conversion of biomass to fuels and chemicals, and related “green” chemical processes.

Some Aspects of PDC Electrolysis

NASA Astrophysics Data System (ADS)

Poláčik, Ján; Pospíšil, Jiří

2016-10-01

In this paper, aspects of pulsed direct current (PDC) water splitting are described. Electrolysis is a simple and well-known method to produce hydrogen. The efficiency is relatively low in normal conditions using conventional DC. PDC in electrolysis brings about many advantages. It increases efficiency of hydrogen production, and performance of the electrolyser may be smoothly controlled without compromising efficiency of the process. In our approach, ultra-short pulses are applied. This method enhances efficiency of electrical energy in the process of decomposition of water into hydrogen and oxygen. Efficiency depends on frequency, shape and width of the electrical pulses. Experiments proved that efficiency was increased by 2 to 8 per cent. One of the prospects of PDC electrolysis producing hydrogen is in increase of efficiency of energy storage efficiency in the hydrogen. There are strong efforts to make the electrical grid more efficient and balanced in terms of production by installing electricity storage units. Using hydrogen as a fuel decreases air pollution and amount of carbon dioxide emissions in the air. In addition to energy storage, hydrogen is also important in transportation and chemical industry.

From Förster resonance energy transfer to coherent resonance energy transfer and back

NASA Astrophysics Data System (ADS)

Clegg, Robert M.; Sener, Melih; Govindjee, .

2010-02-01

Photosynthesis converts solar energy into chemical energy. It provides food and oxygen; and, in the future, it could directly provide bioenergy or renewable energy sources, such as bio-alcohol or hydrogen. To exploit such a highly efficient capture of energy requires an understanding of the fundamental physics. The process is initiated by photon absorption, followed by highly efficient and extremely rapid transfer and trapping of the excitation energy. We first review early fluorescence experiments on in vivo energy transfer, which were undertaken to understand the mechanism of such efficient energy capture. A historical synopsis is given of experiments and interpretations by others that dealt with the question of how energy is transferred from the original location of photon absorption in the photosynthetic antenna system into the reaction centers, where it is converted into useful chemical energy. We conclude by examining the physical basis of some current models concerning the roles of coherent excitons and incoherent hopping in the exceptionally efficient transfer of energy into the reaction center.

Spatial control of chemical processes on nanostructures through nano-localized water heating.

PubMed

Jack, Calum; Karimullah, Affar S; Tullius, Ryan; Khorashad, Larousse Khosravi; Rodier, Marion; Fitzpatrick, Brian; Barron, Laurence D; Gadegaard, Nikolaj; Lapthorn, Adrian J; Rotello, Vincent M; Cooke, Graeme; Govorov, Alexander O; Kadodwala, Malcolm

2016-03-10

Optimal performance of nanophotonic devices, including sensors and solar cells, requires maximizing the interaction between light and matter. This efficiency is optimized when active moieties are localized in areas where electromagnetic (EM) fields are confined. Confinement of matter in these 'hotspots' has previously been accomplished through inefficient 'top-down' methods. Here we report a rapid 'bottom-up' approach to functionalize selective regions of plasmonic nanostructures that uses nano-localized heating of the surrounding water induced by pulsed laser irradiation. This localized heating is exploited in a chemical protection/deprotection strategy to allow selective regions of a nanostructure to be chemically modified. As an exemplar, we use the strategy to enhance the biosensing capabilities of a chiral plasmonic substrate. This novel spatially selective functionalization strategy provides new opportunities for efficient high-throughput control of chemistry on the nanoscale over macroscopic areas for device fabrication.

Predicting the future: opportunities and challenges for the chemical industry to apply 21st-century toxicity testing.

PubMed

Settivari, Raja S; Ball, Nicholas; Murphy, Lynea; Rasoulpour, Reza; Boverhof, Darrell R; Carney, Edward W

2015-03-01

Interest in applying 21st-century toxicity testing tools for safety assessment of industrial chemicals is growing. Whereas conventional toxicology uses mainly animal-based, descriptive methods, a paradigm shift is emerging in which computational approaches, systems biology, high-throughput in vitro toxicity assays, and high-throughput exposure assessments are beginning to be applied to mechanism-based risk assessments in a time- and resource-efficient fashion. Here we describe recent advances in predictive safety assessment, with a focus on their strategic application to meet the changing demands of the chemical industry and its stakeholders. The opportunities to apply these new approaches is extensive and include screening of new chemicals, informing the design of safer and more sustainable chemical alternatives, filling information gaps on data-poor chemicals already in commerce, strengthening read-across methodology for categories of chemicals sharing similar modes of action, and optimizing the design of reduced-risk product formulations. Finally, we discuss how these predictive approaches dovetail with in vivo integrated testing strategies within repeated-dose regulatory toxicity studies, which are in line with 3Rs principles to refine, reduce, and replace animal testing. Strategic application of these tools is the foundation for informed and efficient safety assessment testing strategies that can be applied at all stages of the product-development process.

An observational assessment method for aging laboratory rats

EPA Science Inventory

The growth of the aging population highlights the need for laboratory animal models to study the basic biological processes ofaging and susceptibility to toxic chemicals and disease. Methods to evaluate health ofaging animals over time are needed, especially efficient methods for...

Depth treatment of coal-chemical engineering wastewater by a cost-effective sequential heterogeneous Fenton and biodegradation process.

PubMed

Fang, Yili; Yin, Weizhao; Jiang, Yanbin; Ge, Hengjun; Li, Ping; Wu, Jinhua

2018-05-01

In this study, a sequential Fe 0 /H 2 O 2 reaction and biological process was employed as a low-cost depth treatment method to remove recalcitrant compounds from coal-chemical engineering wastewater after regular biological treatment. First of all, a chemical oxygen demand (COD) and color removal efficiency of 66 and 63% was achieved at initial pH of 6.8, 25 mmol L -1 of H 2 O 2 , and 2 g L -1 of Fe 0 in the Fe 0 /H 2 O 2 reaction. According to the gas chromatography-mass spectrometer (GC-MS) and gas chromatography-flame ionization detector (GC-FID) analysis, the recalcitrant compounds were effectively decomposed into short-chain organic acids such as acetic, propionic, and butyric acids. Although these acids were resistant to the Fe 0 /H 2 O 2 reaction, they were effectively eliminated in the sequential air lift reactor (ALR) at a hydraulic retention time (HRT) of 2 h, resulting in a further decrease of COD and color from 120 to 51 mg L -1 and from 70 to 38 times, respectively. A low operational cost of 0.35 $ m -3 was achieved because pH adjustment and iron-containing sludge disposal could be avoided since a total COD and color removal efficiency of 85 and 79% could be achieved at an original pH of 6.8 by the above sequential process with a ferric ion concentration below 0.8 mg L -1 after the Fe 0 /H 2 O 2 reaction. It indicated that the above sequential process is a promising and cost-effective method for the depth treatment of coal-chemical engineering wastewaters to satisfy discharge requirements.

Microreactor System Design for a NASA In Situ Propellant Production Plant on Mars

NASA Technical Reports Server (NTRS)

TeGrotenhuis, W. E.; Wegeng, R. S.; Vanderwiel, D. P.; Whyatt, G. A.; Viswanathan, V. V.; Schielke, K. P.; Sanders, G. B.; Peters, T. A.; Nicholson, Leonard S. (Technical Monitor)

2000-01-01

The NASA In Situ Resource Utilization (ISRU) program is planning near-term missions to Mars that will include chemical processes for converting the carbon dioxide (CO2) and possibly water from the Martian environment to propellants, oxygen, and other useful chemicals. The use of indigenous resources reduces the size and weight of the payloads from Earth significantly, representing enormous cost savings that make human exploration of Mars affordable. Extraterrestrial chemical processing plants will need to be compact, lightweight, highly efficient under reduced gravity, and extraordinarily reliable for long periods. Microchemical and thermal systems represent capability for dramatic reduction in size and weight, while offering high reliability through massive parallelization. In situ propellant production (ISPP), one aspect of the ISRU program, involves collecting and pressurizing atmospheric CO2, conversion reactions, chemical separations, heat exchangers, and cryogenic storage. A preliminary system design of an ISPP plant based on microtechnology has demonstrated significant size, weight, and energy efficiency gains over the current NASA baseline. Energy management is a strong driver for Mars-based processes, not only because energy is a scarce resource, but because heat rejection is problematic; the low pressure environment makes convective heat transfer ineffective. Energy efficiency gains are largely achieved in the microchemical plant through extensive heat recuperation and energy cascading, which has a small size and weight penalty because the added micro heat exchangers are small. This leads to additional size and weight gains by reducing the required area of waste heat radiators. The microtechnology-based ISPP plant is described in detail, including aspects of pinch analysis for optimizing the heat exchanger network. Three options for thermochemical compression Of CO2 from the Martian atmosphere, adsorption, absorption, and cryogenic freezing, are presented, as well as three options for water decomposition, low temperature electrolysis, high temperature electrolysis, and thermochemical decomposition. Other elements of the plant include Sabatier and reverse water gas shift reactors, water recovery, chemical separations, and cryogenic storage. Data are presented supporting preliminary sizing of components, and results of the system design are compared to the existing NASA baseline that is based on conventional technologies.

Method and apparatus for energy efficient self-aeration in chemical, biochemical, and wastewater treatment processes

DOEpatents

Gao, Johnway [Richland, WA; Skeen, Rodney S [Pendleton, OR

2002-05-28

The present invention is a pulse spilling self-aerator (PSSA) that has the potential to greatly lower the installation, operation, and maintenance cost associated with aerating and mixing aqueous solutions. Currently, large quantities of low-pressure air are required in aeration systems to support many biochemical production processes and wastewater treatment plants. Oxygen is traditionally supplied and mixed by a compressor or blower and a mechanical agitator. These systems have high-energy requirements and high installation and maintenance costs. The PSSA provides a mixing and aeration capability that can increase operational efficiency and reduce overall cost.

Quantum chemical methods for the investigation of photoinitiated processes in biological systems: theory and applications.

PubMed

Dreuw, Andreas

2006-11-13

With the advent of modern computers and advances in the development of efficient quantum chemical computer codes, the meaningful computation of large molecular systems at a quantum mechanical level became feasible. Recent experimental effort to understand photoinitiated processes in biological systems, for instance photosynthesis or vision, at a molecular level also triggered theoretical investigations in this field. In this Minireview, standard quantum chemical methods are presented that are applicable and recently used for the calculation of excited states of photoinitiated processes in biological molecular systems. These methods comprise configuration interaction singles, the complete active space self-consistent field method, and time-dependent density functional theory and its variants. Semiempirical approaches are also covered. Their basic theoretical concepts and mathematical equations are briefly outlined, and their properties and limitations are discussed. Recent successful applications of the methods to photoinitiated processes in biological systems are described and theoretical tools for the analysis of excited states are presented.

Toward zero waste to landfill: an effective method for recycling zeolite waste from refinery industry

NASA Astrophysics Data System (ADS)

Homchuen, K.; Anuwattana, R.; Limphitakphong, N.; Chavalparit, O.

2017-07-01

One-third of landfill waste of refinery plant in Thailand was spent chloride zeolite, which wastes a huge of land, cost and time for handling. Toward zero waste to landfill, this study was aimed at determining an effective method for recycling zeolite waste by comparing the chemical process with the electrochemical process. To investigate the optimum conditions of both processes, concentration of chemical solution and reaction time were carried out for the former, while the latter varied in term of current density, initial pH of water, and reaction time. The results stated that regenerating zeolite waste from refinery industry in Thailand should be done through the chemical process with alkaline solution because it provided the best chloride adsorption efficiency with cost the least. A successful recycling will be beneficial not only in reducing the amount of landfill waste but also in reducing material and disposal costs and consumption of natural resources as well.

Studies on Tasar Cocoon Cooking Using Permeation Method

NASA Astrophysics Data System (ADS)

Javali, Uday C.; Malali, Kiran B.; Ramya, H. G.; Naik, Subhas V.; Padaki, Naveen V.

2018-02-01

Cocoon cooking is an important process before reeling of tasar silk yarn. Cooking ensures loosening of the filaments in the tasar cocoons thereby easing the process of yarn withdrawal during reeling process. Tasar cocoons have very hard shell and hence these cocoons need chemical cooking process to loosen the silk filaments. Attempt has been made in this article to study the effect of using vacuum permeation chamber for tasar cocoon cooking in order to reduce the cooking time and improve the quality of tasar silk yarn. Vacuum assisted permeation cooking method has been studied in this article on tasar daba cocoons for cooking efficiency, deflossing and reelability. Its efficiency has been evaluated with respect to different cooking methods viz, traditional and open pan cooking methods. The tasar silk produced after reeling process has been tested for fineness, strength and cohesion properties. Results indicate that permeation method of tasar cooking ensures uniform cooking with higher efficiency along with better reeling performance and improved yarn properties.

Biocatalytic Synthesis of the Rare Sugar Kojibiose: Process Scale-Up and Application Testing.

PubMed

Beerens, Koen; De Winter, Karel; Van de Walle, Davy; Grootaert, Charlotte; Kamiloglu, Senem; Miclotte, Lisa; Van de Wiele, Tom; Van Camp, John; Dewettinck, Koen; Desmet, Tom

2017-07-26

Cost-efficient (bio)chemical production processes are essential to evaluate the commercial and industrial applications of promising carbohydrates and also are essential to ensure economically viable production processes. Here, the synthesis of the naturally occurring disaccharide kojibiose (2-O-α-d-glucopyranosyl-d-glucopyranoside) was evaluated using different Bifidobacterium adolescentis sucrose phosphorylase variants. Variant L341I_Q345S was found to efficiently synthesize kojibiose while remaining fully active after 1 week of incubation at 55 °C. Process optimization allowed kojibiose production at the kilogram scale, and simple but efficient downstream processing, using a yeast treatment and crystallization, resulted in more than 3 kg of highly pure crystalline kojibiose (99.8%). These amounts allowed a deeper characterization of its potential in food applications. It was found to have possible beneficial health effects, including delayed glucose release and potential to trigger SCFA production. Finally, we compared the bulk functionality of highly pure kojibiose to that of sucrose, hereby mapping its potential as a new sweetener in confectionery products.

Chemical and morphological characterization of sugarcane bagasse submitted to a delignification process for enhanced enzymatic digestibility

PubMed Central

2011-01-01

Background In recent years, biorefining of lignocellulosic biomass to produce multi-products such as ethanol and other biomaterials has become a dynamic research area. Pretreatment technologies that fractionate sugarcane bagasse are essential for the successful use of this feedstock in ethanol production. In this paper, we investigate modifications in the morphology and chemical composition of sugarcane bagasse submitted to a two-step treatment, using diluted acid followed by a delignification process with increasing sodium hydroxide concentrations. Detailed chemical and morphological characterization of the samples after each pretreatment condition, studied by high performance liquid chromatography, solid-state nuclear magnetic resonance, diffuse reflectance Fourier transformed infrared spectroscopy and scanning electron microscopy, is reported, together with sample crystallinity and enzymatic digestibility. Results Chemical composition analysis performed on samples obtained after different pretreatment conditions showed that up to 96% and 85% of hemicellulose and lignin fractions, respectively, were removed by this two-step method when sodium hydroxide concentrations of 1% (m/v) or higher were used. The efficient lignin removal resulted in an enhanced hydrolysis yield reaching values around 100%. Considering the cellulose loss due to the pretreatment (maximum of 30%, depending on the process), the total cellulose conversion increases significantly from 22.0% (value for the untreated bagasse) to 72.4%. The delignification process, with consequent increase in the cellulose to lignin ratio, is also clearly observed by nuclear magnetic resonance and diffuse reflectance Fourier transformed infrared spectroscopy experiments. We also demonstrated that the morphological changes contributing to this remarkable improvement occur as a consequence of lignin removal from the sample. Bagasse unstructuring is favored by the loss of cohesion between neighboring cell walls, as well as by changes in the inner cell wall structure, such as damaging, hole formation and loss of mechanical resistance, facilitating liquid and enzyme access to crystalline cellulose. Conclusions The results presented herewith show the efficiency of the proposed method for improving the enzymatic digestibility of sugarcane bagasse and provide understanding of the pretreatment action mechanism. Combining the different techniques applied in this work warranted thorough information about the undergoing morphological and chemical changes and was an efficient approach to understand the morphological effects resulting from sample delignification and its influence on the enhanced hydrolysis results. PMID:22122978

Simultaneous application of chemical oxidation and extraction processes is effective at remediating soil Co-contaminated with petroleum and heavy metals.

PubMed

Yoo, Jong-Chan; Lee, Chadol; Lee, Jeung-Sun; Baek, Kitae

2017-01-15

Chemical extraction and oxidation processes to clean up heavy metals and hydrocarbon from soil have a higher remediation efficiency and take less time than other remediation processes. In batch extraction/oxidation process, 3% hydrogen peroxide (H 2 O 2 ) and 0.1 M ethylenediaminetetraacetic acid (EDTA) could remove approximately 70% of the petroleum and 60% of the Cu and Pb in the soil, respectively. In particular, petroleum was effectively oxidized by H 2 O 2 without addition of any catalysts through dissolution of Fe oxides in natural soils. Furthermore, heavy metals bound to Fe-Mn oxyhydroxides could be extracted by metal-EDTA as well as Fe-EDTA complexation due to the high affinity of EDTA for metals. However, the strong binding of Fe-EDTA inhibited the oxidation of petroleum in the extraction-oxidation sequential process because Fe was removed during the extraction process with EDTA. The oxidation-extraction sequential process did not significantly enhance the extraction of heavy metals from soil, because a small portion of heavy metals remained bound to organic matter. Overall, simultaneous application of oxidation and extraction processes resulted in highly efficient removal of both contaminants; this approach can be used to remove co-contaminants from soil in a short amount of time at a reasonable cost. Copyright © 2016 Elsevier Ltd. All rights reserved.

Numerical Analysis of Microwave Heating on Saponification Reaction

NASA Astrophysics Data System (ADS)

Huang, Kama; Jia, Kun

2005-01-01

Currently, microwave is widely used in chemical industry to accelerate chemical reactions. Saponification reaction has important applications in industry; some research results have shown that microwave heating can significantly accelerate the reaction [1]. But so far, no efficient method has been reported for the analysis of the heating process and design of an efficient reactor powered by microwave. In this paper, we present a method to study the microwave heating process on saponification reaction, where the reactant in a test tube is considered as a mixture of dilute solution. According to the preliminary measurement results, the effective permittivity of the mixture is approximately the permittivity of water, but the conductivity, which could change with the reaction, is derived from the reaction equation (RE). The electromagnetic field equation and reaction equation are coupled by the conductivity. Following that, the whole heating processes, which is described by Maxwell's equations, the reaction equation and heat transport equation (HTE), is analyzed by finite difference time domain (FDTD) method. The temperature rising in the test tube are measured and compared with the computational results. Good agreement can be seen between the measured and calculated results.

Tracking the Fate of Surface Plasmon Resonance-Generated Hot Electrons by In Situ SERS Surveying of Catalyzed Reaction.

PubMed

Liu, Rui; He, Zuoliang; Sun, Jiefang; Liu, Jingfu; Jiang, Guibin

2016-12-01

Plasmonic catalysis is an emerging process that utilizes surface plasmon resonance (SPR) process to harnesses solar energy for the promotion of catalyzed reactions. In most cases, SPR generated hot electrons (HEs) play an indispensable role in this solar-chemical energy shift process. Therefore, understanding the effectiveness of the HEs in promoting chemical reactions, and identifying the key factors that contribute to this utilization efficiency is of profound importance. Herein, the authors outline an in situ surface enhanced Raman spectroscopy protocol to track the fate of HEs. This is based on the unheeded HEs-acceleration nature of the p-nitirothiophenol hydrogenation reaction. By this way, the authors discover that unlike Au@Pd nanostructures which experience a 20-fold increase in rate constant, HEs primary leak to surrounding H + /O species through Ag pinholes in Ag@Pd. This work sheds light on why Ag is seldom employed as a plasmonic cocatalyst, and provides a new viewpoint to design plasmonic nanocatalysts with efficient light utilization. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Highly efficient SO₂ absorption and its subsequent utilization by weak base/polyethylene glycol binary system.

PubMed

Yang, Zhen-Zhen; He, Liang-Nian; Zhao, Ya-Nan; Yu, Bing

2013-02-05

A binary system consisting of polyethylene glycol (PEG, proton donor)/PEG-functionalized base with suitable basicity was developed for efficient gas desulfurization (GDS) and can be regarded as an alternative approach to circumvent the energy penalty problem in the GDS process. High capacity for SO(2) capture up to 4.88 mol of SO(2)/mol of base was achieved even under low partial pressure of SO(2). Furthermore, SO(2) desorption runs smoothly under mild conditions (N(2), 25 °C) and no significant drop in SO(2) absorption was observed after five-successive absorption-desorption cycles. On the other hand, the absorbed SO(2) by PEG(150)MeIm/PEG(150), being considered as the activated form of SO(2), can be directly transformed into value-added chemicals under mild conditions, thus eliminating the energy penalty for SO(2) desorption and simultaneously realizing recycle of the absorbents. Thus, this SO(2) capture and utilization (SCU) process offers an alternative way for GDS and potentially enables the SO(2) conversion from flue gas to useful chemicals as a value-added process.

Perspective: Maintaining surface-phase purity is key to efficient open air fabricated cuprous oxide solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoye, Robert L. Z., E-mail: rlzh2@cam.ac.uk, E-mail: jld35@cam.ac.uk; Ievskaya, Yulia; MacManus-Driscoll, Judith L., E-mail: rlzh2@cam.ac.uk, E-mail: jld35@cam.ac.uk

2015-02-01

Electrochemically deposited Cu{sub 2}O solar cells are receiving growing attention owing to a recent doubling in efficiency. This was enabled by the controlled chemical environment used in depositing doped ZnO layers by atomic layer deposition, which is not well suited to large-scale industrial production. While open air fabrication with atmospheric pressure spatial atomic layer deposition overcomes this limitation, we find that this approach is limited by an inability to remove the detrimental CuO layer that forms on the Cu{sub 2}O surface. Herein, we propose strategies for achieving efficiencies in atmospherically processed cells that are equivalent to the high values achievedmore » in vacuum processed cells.« less

New methods to monitor emerging chemicals in the drinking water production chain.

PubMed

van Wezel, Annemarie; Mons, Margreet; van Delft, Wouter

2010-01-01

New techniques enable a shift in monitoring chemicals that affect water quality from mainly at the end product, tap water, towards monitoring during the whole process along the production chain. This is congruent with the 'HACCP' system (hazard analysis of critical control points) that is fairly well integrated into food production but less well in drinking water production. This shift brings about more information about source quality, the efficiency of treatment and distribution, and understanding of processes within the production chain, and therefore can lead to a more pro-active management of drinking water production. At present, monitoring is focused neither on emerging chemicals, nor on detection of compounds with chronic toxicity. We discuss techniques to be used, detection limits compared to quality criteria, data interpretation and possible interventions in production.

Load limit of a UASB fed septic tank-treated domestic wastewater.

PubMed

Lohani, Sunil Prasad; Bakke, Rune; Khanal, Sanjay N

2015-01-01

Performance of a 250 L pilot-scale up-flow anaerobic sludge blanket (UASB) reactor, operated at ambient temperatures, fed septic tank effluents intermittently, was monitored for hydraulic retention time (HRT) from 18 h to 4 h. The total suspended solids (TSS), total chemical oxygen demand (CODT), dissolved chemical oxygen demand (CODdis) and suspended chemical oxygen demand (CODss) removal efficiencies ranged from 20 to 63%, 15 to 56%, 8 to 35% and 22 to 72%, respectively, for the HRT range tested. Above 60% TSS and 47% CODT removal were obtained in the combined septic tank and UASB process. The process established stable UASB treatment at HRT≥6 h, indicating a hydraulic load design limit. The tested septic tank-UASB combined system can be a low-cost and effective on-site sanitation solution.

Continuous Succinic Acid Production by Actinobacillus succinogenes on Xylose-Enriched Hydrolysate

DOE PAGES

Bradfield, Michael F. A.; Mohagheghi, Ali; Salvachua, Davinia; ...

2015-11-14

Bio-manufacturing of high-value chemicals in parallel to renewable biofuels has the potential to dramatically improve the overall economic landscape of integrated lignocellulosic biorefineries. However, this will require the generation of carbohydrate streams from lignocellulose in a form suitable for efficient microbial conversion and downstream processing appropriate to the desired end use, making overall process development, along with selection of appropriate target molecules, crucial to the integrated biorefinery. Succinic acid (SA), a high-value target molecule, can be biologically produced from sugars and has the potential to serve as a platform chemical for various chemical and polymer applications. However, the feasibility ofmore » microbial SA production at industrially relevant productivities and yields from lignocellulosic biorefinery streams has not yet been reported.« less

X-ray coherent diffraction imaging of cellulose fibrils in situ.

PubMed

Lal, Jyotsana; Harder, Ross; Makowski, Lee

2011-01-01

Cellulose is the most abundant renewable source of organic molecules on earth[1]. As fossil fuel reserves become depleted, the use of cellulose as a feed stock for fuels and chemicals is being aggressively explored. Cellulose is a linear polymer of glucose that packs tightly into crystalline fibrils that make up a substantial proportion of plant cell walls. Extraction of the cellulose chains from these fibrils in a chemically benign process has proven to be a substantial challenge [2]. Monitoring the deconstruction of the fibrils in response to physical and chemical treatments would expedite the development of efficient processing methods. As a step towards achieving that goal, we here describe Bragg-coherent diffraction imaging (CDI) as an approach to producing images of cellulose fibrils in situ within vascular bundles from maize.

Optimization of PECVD Chamber Cleans Through Fundamental Studies of Electronegative Fluorinated Gas Discharges.

NASA Astrophysics Data System (ADS)

Langan, John

1996-10-01

The predominance of multi-level metalization schemes in advanced integrated circuit manufacturing has greatly increased the importance of plasma enhanced chemical vapor deposition (PECVD) and in turn in-situ plasma chamber cleaning. In order to maintain the highest throughput for these processes the clean step must be as short as possible. In addition, there is an increasing desire to minimize the fluorinated gas usage during the clean, while maximizing its efficiency, not only to achieve lower costs, but also because many of the gases used in this process are global warming compounds. We have studied the fundamental properties of discharges of NF_3, CF_4, and C_2F6 under conditions relevant to chamber cleaning in the GEC rf reference cell. Using electrical impedance analysis and optical emission spectroscopy we have determined that the electronegative nature of these discharges defines the optimal processing conditions by controlling the power coupling efficiency and mechanisms of power dissipation in the discharge. Examples will be presented where strategies identified by these studies have been used to optimize actual manufacturing chamber clean processes. (This work was performed in collaboration with Mark Sobolewski, National Institute of Standards and Technology, and Brian Felker, Air Products and Chemicals, Inc.)

Membranes for Food and Bioproduct Processing

NASA Astrophysics Data System (ADS)

Avram, Alexandru M.

Modified membranes for process intensification in biomass hydrolysis: Production of biofuels and chemicals from lignocellulosic biomass is one of the leading candidates for replacement of petroleum based fuels and chemicals. However, conversion of lignocellulosic biomass into fuels and chemicals is not cost effective compared to the production of fuels and chemicals from crude oil reserves. Some novel and economically feasible approaches involve the use of ionic liquids as solvents or co-solvents, since these show improved solvation capability of cellulose over simple aqueous systems. Membranes offer unique opportunities for process intensification which involves fractionation of the resulting biomass hydrolysate leading to a more efficient and cheaper operation. This research attempts to develop membranes that would usher the economics of the biochemical conversion of lignocellulosic biomass into fuels and chemicals by recycling the expensive ionic liquid. The overall aim of this work is the development of novel membranes with unique surface properties that enable the selective separation of non-reacted cellulose and hydrolysis sugars from ionic liquids. Nanofiltration separation for application in food product engineering: With the advent of the modern, well-informed consumer who has high expectations from the nutritional value of consumed food products, novel approaches are being developed to produce nutrient-enhanced foods and drinks. As a response to the consumer needs, different techniques to recover, concentrate and retain as much as possible of bioactive compounds are being investigated. Membrane technology has the advantage of selective fractionation of food products (e.g. salt removal, removal of bitter-tasting compounds or removal of sugar for sweet taste adjustment), volume reduction, and product recovery at mild conditions. In this work, we use nanofiltration in dead-end and crossflow mode to concentrate polyphenols from blueberry pomace. Blueberry pomace is an overlooked waste product form the juice pressing of blueberries that contains high amounts of health-beneficial antioxidants. We aim at developing a simple, yet efficient membrane process that reduces the amount of water and thus concentrates the amount of polyphenols in the retentate.

Surface engineering on CeO2 nanorods by chemical redox etching and their enhanced catalytic activity for CO oxidation

NASA Astrophysics Data System (ADS)

Gao, Wei; Zhang, Zhiyun; Li, Jing; Ma, Yuanyuan; Qu, Yongquan

2015-07-01

Controllable surface properties of nanocerias are desired for various catalytic processes. There is a lack of efficient approaches to adjust the surface properties of ceria to date. Herein, a redox chemical etching method was developed to controllably engineer the surface properties of ceria nanorods. Ascorbic acid and hydrogen peroxide were used to perform the redox chemical etching process, resulting in a rough surface and/or pores on the surface of ceria nanorods. Increasing the etching cycles induced a steady increase of the specific surface area, oxygen vacancies and surface Ce3+ fractions. As a result, the etched nanorods delivered enhanced catalytic activity for CO oxidation, compared to the non-etched ceria nanorods. Our method provides a novel and facile approach to continuously adjust the surface properties of ceria for practical applications.Controllable surface properties of nanocerias are desired for various catalytic processes. There is a lack of efficient approaches to adjust the surface properties of ceria to date. Herein, a redox chemical etching method was developed to controllably engineer the surface properties of ceria nanorods. Ascorbic acid and hydrogen peroxide were used to perform the redox chemical etching process, resulting in a rough surface and/or pores on the surface of ceria nanorods. Increasing the etching cycles induced a steady increase of the specific surface area, oxygen vacancies and surface Ce3+ fractions. As a result, the etched nanorods delivered enhanced catalytic activity for CO oxidation, compared to the non-etched ceria nanorods. Our method provides a novel and facile approach to continuously adjust the surface properties of ceria for practical applications. Electronic supplementary information (ESI) available: Diameter distributions of as-prepared and etched samples, optical images, specific catalytic data of CO oxidation and comparison of CO oxidation. See DOI: 10.1039/c5nr01846c

A FRAMEWORK TO DESIGN AND OPTIMIZE CHEMICAL FLOODING PROCESSES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

2005-07-01

The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectivesmore » of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.« less

A Framework to Design and Optimize Chemical Flooding Processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

2006-08-31

The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectivesmore » of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.« less

A FRAMEWORK TO DESIGN AND OPTIMIZE CHEMICAL FLOODING PROCESSES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

2004-11-01

The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectivesmore » of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agrawal, Rakesh

This project sought and successfully answered two big challenges facing the creation of low-energy, cost-effective, zeotropic multi-component distillation processes: first, identification of an efficient search space that includes all the useful distillation configurations and no undesired configurations; second, development of an algorithm to search the space efficiently and generate an array of low-energy options for industrial multi-component mixtures. Such mixtures are found in large-scale chemical and petroleum plants. Commercialization of our results was addressed by building a user interface allowing practical application of our methods for industrial problems by anyone with basic knowledge of distillation for a given problem. Wemore » also provided our algorithm to a major U.S. Chemical Company for use by the practitioners. The successful execution of this program has provided methods and algorithms at the disposal of process engineers to readily generate low-energy solutions for a large class of multicomponent distillation problems in a typical chemical and petrochemical plant. In a petrochemical complex, the distillation trains within crude oil processing, hydrotreating units containing alkylation, isomerization, reformer, LPG (liquefied petroleum gas) and NGL (natural gas liquids) processing units can benefit from our results. Effluents from naphtha crackers and ethane-propane crackers typically contain mixtures of methane, ethylene, ethane, propylene, propane, butane and heavier hydrocarbons. We have shown that our systematic search method with a more complete search space, along with the optimization algorithm, has a potential to yield low-energy distillation configurations for all such applications with energy savings up to 50%.« less

Efficient fluoride removal using Al-Cu oxide nanoparticles supported on steel slag industrial waste solid.

PubMed

Blanco-Flores, Alien; Arteaga-Larios, Nubia; Pérez-García, Víctor; Martínez-Gutiérrez, José; Ojeda-Escamilla, María; Rodríguez-Torres, Israel

2018-03-01

A SSW/Al-Cu formed from an industrial solid waste and Al-Cu Nps are utilized for the removal of fluoride from aqueous solutions. The SSW/Al-Cu was obtained by a chemical reduction method. The SSW/Al-Cu was characterized by TEM, SEM, FT-IR, XRD, BET, and pH zpc techniques. The Nps were formed as bimetallic oxides and deposited in the form of spheroidal particles forming agglomerations. The sizes of these particles range from 1 to 3 nm. The surface area and average pore width of SSW/Al-Cu were 2.99 m 2 /g and 17.09 nm, respectively. The adsorption kinetics were better described using the second-order model, pointing to chemical adsorption with an equilibrium time of 540 min. The thermodynamic parameters obtained here confirm the spontaneous and endothermic nature of the process. The percentage of fluoride removal was 89.5% using the four-bladed disk turbine, and computational fluid dynamics (CFD) modeling demonstrated that using the four-bladed disk turbine helped improve the fluoride removal process. The maximum adsorption capacity was 3.99 mg/g. The Langmuir-Freundlich model best describes the adsorption process, which occurred by a combination of mechanisms, such as electrostatic interactions between the ions involved in the process. This study proves that the chemical modification of this waste solid created an efficient bimetallic nanomaterial for fluoride removal. Furthermore, the method of preparation of these nanocomposites is quite scalable.

Synergistic effect of electrical and chemical factors on endocytosis in micro-discharge plasma gene transfection

NASA Astrophysics Data System (ADS)

Jinno, M.; Ikeda, Y.; Motomura, H.; Isozaki, Y.; Kido, Y.; Satoh, S.

2017-06-01

We have developed a new micro-discharge plasma (MDP)-based gene transfection method, which transfers genes into cells with high efficiency and low cytotoxicity; however, the mechanism underlying the method is still unknown. Studies revealed that the N-acetylcysteine-mediated inhibition of reactive oxygen species (ROS) activity completely abolished gene transfer. In this study, we used laser-produced plasma to demonstrate that gene transfer does not occur in the absence of electrical factors. Our results show that both electrical and chemical factors are necessary for gene transfer inside cells by microplasma irradiation. This indicates that plasma-mediated gene transfection utilizes the synergy between electrical and chemical factors. The electric field threshold required for transfection was approximately 1 kV m-1 in our MDP system. This indicates that MDP irradiation supplies sufficient concentrations of ROS, and the stimulation intensity of the electric field determines the transfection efficiency in our system. Gene transfer by plasma irradiation depends mainly on endocytosis, which accounts for at least 80% of the transfer, and clathrin-mediated endocytosis is a dominant endocytosis. In plasma-mediated gene transfection, alterations in electrical and chemical factors can independently regulate plasmid DNA adhesion and triggering of endocytosis, respectively. This implies that plasma characteristics can be adjusted according to target cell requirements, and the transfection process can be optimized with minimum damage to cells and maximum efficiency. This may explain how MDP simultaneously achieves high transfection efficiency with minimal cell damage.

Treating an aged pentachlorophenol- (PCP-) contaminated soil through three sludge handling processes, anaerobic sludge digestion, post-sludge digestion and sludge land application.

PubMed

Chen, S T; Berthouex, P M

2001-01-01

The extensive pentachlorophenol (PCP) contamination and its increasing treatment costs motivate the search for a more competitive treatment alternative. In a municipal wastewater treatment plant, anaerobic sludge-handling processes comprises three bio-processes, namely the anaerobic sludge digestion, post-sludge digestion and sludge land application, which reduce sludge organic content and make sludge a good fertilizer for land application. Availability and effectiveness make the anaerobic sludge handling processes potential technologies to treat PCP-contaminated soil. The technical feasibility of using anaerobic sludge bioprocesses was studied by treating PCP soil in two pilot digesters to simulate the primary sludge digestion, in serum bottles to mimic the post-sludge digestion, and in glass pans to represent the on-site sludge application. For primary digestion, the results showed that up to 0.98 and 0.6 mM of chemical and soil PCP, respectively, were treated at nearly 100% and 97.5% efficiencies. The PCP was transformed 95% to 3-MCP, 4.5% to 3,4-DCP, and 0.5% to 3,5-DCP. For post-digestion, 100% pure chemical PCP and greater than 95% soil PCP were removed in less than 6 months with no chlorophenol residues of any kind. Complete removal of PCP by-products makes this process a good soil cleanup method. For on-site treatment, PCP was efficiently treated by multiple sludge application; however, the PCP residue was observed due to the high initial PCP content in soil. Overall, more mass PCP per unit sludge per day was processed using the primary sludge digestion than the on-site soil treatment or post-sludge digestion. And, sludge acclimation resulted in better PCP treatment efficiencies with all three processes.

48 CFR 23.803 - Policy.

Code of Federal Regulations, 2010 CFR

2010-10-01

... ENVIRONMENT, ENERGY AND WATER EFFICIENCY, RENEWABLE ENERGY TECHNOLOGIES, OCCUPATIONAL SAFETY, AND DRUG-FREE... procurement of alternative chemicals, products, and manufacturing processes that reduce overall risks to human...), except in the case of Class I substances being used for specified essential uses, as identified under 40...

Endowing non-cellulolytic microorganisms with cellulolytic activity aiming for consolidated bioprocessing.

PubMed

Yamada, Ryosuke; Hasunuma, Tomohisa; Kondo, Akihiko

2013-11-01

With the exhaustion of fossil fuels and with the environmental issues they pose, utilization of abundant lignocellulosic biomass as a feedstock for biofuels and bio-based chemicals has recently become an attractive option. Lignocellulosic biomass is primarily composed of cellulose, hemicellulose, and lignin and has a very rigid and complex structure. It is accordingly much more expensive to process than starchy grains because of the need for extensive pretreatment and relatively large amounts of cellulases for efficient hydrolysis. Efficient and cost-effective methods for the production of biofuels and chemicals from lignocellulose are required. A consolidated bioprocess (CBP), which integrates all biological steps consisting of enzyme production, saccharification, and fermentation, is considered a promising strategy for reducing production costs. Establishing an efficient CBP using lignocellulosic biomass requires both lignocellulose degradation into glucose and efficient production of biofuels or chemicals from glucose. With this aim, many researchers are attempting to endow selected microorganisms with lignocellulose-assimilating ability. In this review, we focus on studies aimed at conferring lignocellulose-assimilating ability not only to yeast strains but also to bacterial strains by recombinant technology. Recent developments in improvement of enzyme productivity by microorganisms and in improvement of the specific activity of cellulase are emphasized. Copyright © 2013 Elsevier Inc. All rights reserved.

Solar-Enhanced Advanced Oxidation Processes for Water Treatment: Simultaneous Removal of Pathogens and Chemical Pollutants.

PubMed

Tsydenova, Oyuna; Batoev, Valeriy; Batoeva, Agniya

2015-08-14

The review explores the feasibility of simultaneous removal of pathogens and chemical pollutants by solar-enhanced advanced oxidation processes (AOPs). The AOPs are based on in-situ generation of reactive oxygen species (ROS), most notably hydroxyl radicals •OH, that are capable of destroying both pollutant molecules and pathogen cells. The review presents evidence of simultaneous removal of pathogens and chemical pollutants by photocatalytic processes, namely TiO2 photocatalysis and photo-Fenton. Complex water matrices with high loads of pathogens and chemical pollutants negatively affect the efficiency of disinfection and pollutant removal. This is due to competition between chemical substances and pathogens for generated ROS. Other possible negative effects include light screening, competitive photon absorption, adsorption on the catalyst surface (thereby inhibiting its photocatalytic activity), etc. Besides, some matrix components may serve as nutrients for pathogens, thus hindering the disinfection process. Each type of water/wastewater would require a tailor-made approach and the variables that were shown to influence the processes-catalyst/oxidant concentrations, incident radiation flux, and pH-need to be adjusted in order to achieve the required degree of pollutant and pathogen removal. Overall, the solar-enhanced AOPs hold promise as an environmentally-friendly way to substitute or supplement conventional water/wastewater treatment, particularly in areas without access to centralized drinking water or sewage/wastewater treatment facilities.

Chemical vapor deposition modeling: An assessment of current status

NASA Technical Reports Server (NTRS)

Gokoglu, Suleyman A.

1991-01-01

The shortcomings of earlier approaches that assumed thermochemical equilibrium and used chemical vapor deposition (CVD) phase diagrams are pointed out. Significant advancements in predictive capabilities due to recent computational developments, especially those for deposition rates controlled by gas phase mass transport, are demonstrated. The importance of using the proper boundary conditions is stressed, and the availability and reliability of gas phase and surface chemical kinetic information are emphasized as the most limiting factors. Future directions for CVD are proposed on the basis of current needs for efficient and effective progress in CVD process design and optimization.

Computational prediction of chemical reactions: current status and outlook.

PubMed

Engkvist, Ola; Norrby, Per-Ola; Selmi, Nidhal; Lam, Yu-Hong; Peng, Zhengwei; Sherer, Edward C; Amberg, Willi; Erhard, Thomas; Smyth, Lynette A

2018-06-01

Over the past few decades, various computational methods have become increasingly important for discovering and developing novel drugs. Computational prediction of chemical reactions is a key part of an efficient drug discovery process. In this review, we discuss important parts of this field, with a focus on utilizing reaction data to build predictive models, the existing programs for synthesis prediction, and usage of quantum mechanics and molecular mechanics (QM/MM) to explore chemical reactions. We also outline potential future developments with an emphasis on pre-competitive collaboration opportunities. Copyright © 2018 Elsevier Ltd. All rights reserved.

A MODELING AND SIMULATION LANGUAGE FOR BIOLOGICAL CELLS WITH COUPLED MECHANICAL AND CHEMICAL PROCESSES

PubMed Central

Somogyi, Endre; Glazier, James A.

2017-01-01

Biological cells are the prototypical example of active matter. Cells sense and respond to mechanical, chemical and electrical environmental stimuli with a range of behaviors, including dynamic changes in morphology and mechanical properties, chemical uptake and secretion, cell differentiation, proliferation, death, and migration. Modeling and simulation of such dynamic phenomena poses a number of computational challenges. A modeling language describing cellular dynamics must naturally represent complex intra and extra-cellular spatial structures and coupled mechanical, chemical and electrical processes. Domain experts will find a modeling language most useful when it is based on concepts, terms and principles native to the problem domain. A compiler must then be able to generate an executable model from this physically motivated description. Finally, an executable model must efficiently calculate the time evolution of such dynamic and inhomogeneous phenomena. We present a spatial hybrid systems modeling language, compiler and mesh-free Lagrangian based simulation engine which will enable domain experts to define models using natural, biologically motivated constructs and to simulate time evolution of coupled cellular, mechanical and chemical processes acting on a time varying number of cells and their environment. PMID:29303160

A MODELING AND SIMULATION LANGUAGE FOR BIOLOGICAL CELLS WITH COUPLED MECHANICAL AND CHEMICAL PROCESSES.

PubMed

Somogyi, Endre; Glazier, James A

2017-04-01

Biological cells are the prototypical example of active matter. Cells sense and respond to mechanical, chemical and electrical environmental stimuli with a range of behaviors, including dynamic changes in morphology and mechanical properties, chemical uptake and secretion, cell differentiation, proliferation, death, and migration. Modeling and simulation of such dynamic phenomena poses a number of computational challenges. A modeling language describing cellular dynamics must naturally represent complex intra and extra-cellular spatial structures and coupled mechanical, chemical and electrical processes. Domain experts will find a modeling language most useful when it is based on concepts, terms and principles native to the problem domain. A compiler must then be able to generate an executable model from this physically motivated description. Finally, an executable model must efficiently calculate the time evolution of such dynamic and inhomogeneous phenomena. We present a spatial hybrid systems modeling language, compiler and mesh-free Lagrangian based simulation engine which will enable domain experts to define models using natural, biologically motivated constructs and to simulate time evolution of coupled cellular, mechanical and chemical processes acting on a time varying number of cells and their environment.

Remediation of electronic waste polluted soil using a combination of persulfate oxidation and chemical washing.

PubMed

Chen, Fu; Luo, Zhanbin; Liu, Gangjun; Yang, Yongjun; Zhang, Shaoliang; Ma, Jing

2017-12-15

Laboratory experiments were conducted to investigate the efficiency of a simultaneous chemical extraction and oxidation for removing persistent organic pollutants (POPs) and toxic metals from an actual soil polluted by the recycling activity of electronic waste. Various chemicals, including hydroxypropyl-β-cyclodextrin (HPCD), citric acid (CA) and sodium persulfate (SP) were applied synchronously with Fe 2+ activated oxidation to enhance the co-removal of both types of pollutants. It is found that the addition of HPCD can enhance POPs removal through solubilization of POPs and iron chelation; while the CA-chelated Fe 2+ activation process is effective for extracting metals and degrading residual POPs. Under the optimized reagent conditions, 69.4% Cu, 78.1% Pb, 74.6% Ni, 97.1% polychlorinated biphenyls, 93.8% polycyclic aromatic hydrocarbons, and 96.4% polybrominated diphenylethers were removed after the sequential application of SP-HPCD-Fe 2+ and SP-CA-Fe 2+ processes with a duration of 180 and 240 min, respectively. A high dehalogenation efficiency (84.8% bromine and 86.2% chlorine) is observed, suggesting the low accumulation of halogen-containing organic intermediates. The remediated soil can satisfy the national soil quality standard of China. Collectively, co-contaminated soil can be remediated with reasonable time and capital costs through simultaneous application of persulfate oxidation and chemical extraction. Copyright © 2017 Elsevier Ltd. All rights reserved.

Cofactor engineering for advancing chemical biotechnology.

PubMed

Wang, Yipeng; San, Ka-Yiu; Bennett, George N

2013-12-01

Cofactors provide redox carriers for biosynthetic reactions, catabolic reactions and act as important agents in transfer of energy for the cell. Recent advances in manipulating cofactors include culture conditions or additive alterations, genetic modification of host pathways for increased availability of desired cofactor, changes in enzyme cofactor specificity, and introduction of novel redox partners to form effective circuits for biochemical processes and biocatalysts. Genetic strategies to employ ferredoxin, NADH and NADPH most effectively in natural or novel pathways have improved yield and efficiency of large-scale processes for fuels and chemicals and have been demonstrated with a variety of microbial organisms. Copyright © 2013 Elsevier Ltd. All rights reserved.

Laboratory scale studies on removal of chromium from industrial wastes.

PubMed

Baig, M A; Mir, Mohsin; Murtaza, Shazad; Bhatti, Zafar I

2003-05-01

Chromium being one of the major toxic pollutants is discharged from electroplating and chrome tanning processes and is also found in the effluents of dyes, paint pigments, manufacturing units etc. Chromium exists in aqueous systems in both trivalent (Cr(3+)) and hexavalent (Cr(6+)) forms. The hexavalent form is carcinogenic and toxic to aquatic life, whereas Cr(3+) is however comparatively less toxic. This study was undertaken to investigate the total chromium removal from industrial effluents by chemical means in order to achieve the Pakistan NEQS level of 1 mg/L by the methods of reduction and precipitation. The study was conducted in four phases. In phase I, the optimum pH and cost effective reducing agent among the four popular commercial chemicals was selected. As a result, pH of 2 was found to be most suitable and sodium meta bisulfate was found to be the most cost effective reducing agent respectively. Phase II showed that lower dose of sodium meta bisulfate was sufficient to obtain 100% efficiency in reducing Cr(6+) to Cr(3+), and it was noted that reaction time had no significance in the whole process. A design curve for reduction process was established which can act as a tool for treatment of industrial effluents. Phase III studies indicated the best pH was 8.5 for precipitation of Cr(3+) to chromium hydroxide by using lime. An efficiency of 100% was achievable and a settling time of 30 minutes produced clear effluent. Finally in Phase IV actual waste samples from chrome tanning and electroplating industries, when precipitated at pH of 12 gave 100% efficiency at a settling time of 30 minutes and confined that chemical means of reduction and precipitation is a feasible and viable solution for treating chromium wastes from industries.

Non-thermal plasma-induced photocatalytic degradation of 4-chlorophenol in water.

PubMed

Hao, Xiao Long; Zhou, Ming Hua; Lei, Le Cheng

2007-03-22

TiO(2) photocatalyst (P-25) (50mgL(-1)) was tentatively introduced into pulsed high-voltage discharge process for non-thermal plasma-induced photocatalytic degradation of the representative mode organic pollutant parachlorophenol (4-CP), including other compounds phenol and methyl red in water. The experimental results showed that rate constant of 4-CP degradation, energy efficiency for 4-CP removal and TOC removal with TiO(2) were obviously increased. Pulsed high-voltage discharge process with TiO(2) had a promoted effect for the degradation of these pollutants under a broad range of liquid conductivity. Furthermore, the apparent formation rates of chemically active species (e.g., ozone and hydrogen peroxide) were increased, the hydrogen peroxide formation rate from 1.10x10(-6) to 1.50x10(-6)Ms(-1), the ozone formation rate from 1.99x10(-8) to 2.35x10(-8)Ms(-1), respectively. In addition, this process had no influence on the photocatalytic properties of TiO(2). The introduction of TiO(2) photocatalyst into pulsed discharge plasma process in the utilizing of ultraviolet radiation and electric field in pulsed discharge plasma process enhanced the yields of chemically active species, which were available for highly efficient removal and mineralization of organic pollutants.

Study of process technology for GaAlAs/GaAs heteroface solar cells

NASA Technical Reports Server (NTRS)

Conway, E. J.; Walker, G. H.; Byvik, C. E.; Almgren, D. W.

1980-01-01

Two processes were considered: the infinite melt process and the finite melt process. The only technique that is developed to the point that 10,000 cells could be produced in one year is the infinite melt liquid phase epitaxy process. The lowest cost per cell was achieved with the advanced metal organic chemical vapor deposition process. Molecular beam epitaxy was limited by the slow growth rate. The lowest cost, an 18 percent efficient cell at air mass zero, was approximately $70 per watt.

Slaughterhouse Wastewater Treatment by Combined Chemical Coagulation and Electrocoagulation Process

PubMed Central

Bazrafshan, Edris; Kord Mostafapour, Ferdos; Farzadkia, Mehdi; Ownagh, Kamal Aldin; Mahvi, Amir Hossein

2012-01-01

Slaughterhouse wastewater contains various and high amounts of organic matter (e.g., proteins, blood, fat and lard). In order to produce an effluent suitable for stream discharge, chemical coagulation and electrocoagulation techniques have been particularly explored at the laboratory pilot scale for organic compounds removal from slaughterhouse effluent. The purpose of this work was to investigate the feasibility of treating cattle-slaughterhouse wastewater by combined chemical coagulation and electrocoagulation process to achieve the required standards. The influence of the operating variables such as coagulant dose, electrical potential and reaction time on the removal efficiencies of major pollutants was determined. The rate of removal of pollutants linearly increased with increasing doses of PACl and applied voltage. COD and BOD5 removal of more than 99% was obtained by adding 100 mg/L PACl and applied voltage 40 V. The experiments demonstrated the effectiveness of chemical and electrochemical techniques for the treatment of slaughterhouse wastewaters. Consequently, combined processes are inferred to be superior to electrocoagulation alone for the removal of both organic and inorganic compounds from cattle-slaughterhouse wastewater. PMID:22768233

Slaughterhouse wastewater treatment by combined chemical coagulation and electrocoagulation process.

PubMed

Bazrafshan, Edris; Kord Mostafapour, Ferdos; Farzadkia, Mehdi; Ownagh, Kamal Aldin; Mahvi, Amir Hossein

2012-01-01

Slaughterhouse wastewater contains various and high amounts of organic matter (e.g., proteins, blood, fat and lard). In order to produce an effluent suitable for stream discharge, chemical coagulation and electrocoagulation techniques have been particularly explored at the laboratory pilot scale for organic compounds removal from slaughterhouse effluent. The purpose of this work was to investigate the feasibility of treating cattle-slaughterhouse wastewater by combined chemical coagulation and electrocoagulation process to achieve the required standards. The influence of the operating variables such as coagulant dose, electrical potential and reaction time on the removal efficiencies of major pollutants was determined. The rate of removal of pollutants linearly increased with increasing doses of PACl and applied voltage. COD and BOD(5) removal of more than 99% was obtained by adding 100 mg/L PACl and applied voltage 40 V. The experiments demonstrated the effectiveness of chemical and electrochemical techniques for the treatment of slaughterhouse wastewaters. Consequently, combined processes are inferred to be superior to electrocoagulation alone for the removal of both organic and inorganic compounds from cattle-slaughterhouse wastewater.

Highly parallel single-molecule amplification approach based on agarose droplet polymerase chain reaction for efficient and cost-effective aptamer selection.

PubMed

Zhang, Wei Yun; Zhang, Wenhua; Liu, Zhiyuan; Li, Cong; Zhu, Zhi; Yang, Chaoyong James

2012-01-03

We have developed a novel method for efficiently screening affinity ligands (aptamers) from a complex single-stranded DNA (ssDNA) library by employing single-molecule emulsion polymerase chain reaction (PCR) based on the agarose droplet microfluidic technology. In a typical systematic evolution of ligands by exponential enrichment (SELEX) process, the enriched library is sequenced first, and tens to hundreds of aptamer candidates are analyzed via a bioinformatic approach. Possible candidates are then chemically synthesized, and their binding affinities are measured individually. Such a process is time-consuming, labor-intensive, inefficient, and expensive. To address these problems, we have developed a highly efficient single-molecule approach for aptamer screening using our agarose droplet microfluidic technology. Statistically diluted ssDNA of the pre-enriched library evolved through conventional SELEX against cancer biomarker Shp2 protein was encapsulated into individual uniform agarose droplets for droplet PCR to generate clonal agarose beads. The binding capacity of amplified ssDNA from each clonal bead was then screened via high-throughput fluorescence cytometry. DNA clones with high binding capacity and low K(d) were chosen as the aptamer and can be directly used for downstream biomedical applications. We have identified an ssDNA aptamer that selectively recognizes Shp2 with a K(d) of 24.9 nM. Compared to a conventional sequencing-chemical synthesis-screening work flow, our approach avoids large-scale DNA sequencing and expensive, time-consuming DNA synthesis of large populations of DNA candidates. The agarose droplet microfluidic approach is thus highly efficient and cost-effective for molecular evolution approaches and will find wide application in molecular evolution technologies, including mRNA display, phage display, and so on. © 2011 American Chemical Society

Electrodialysis operation with buffer solution

DOEpatents

Hryn, John N [Naperville, IL; Daniels, Edward J [Orland Park, IL; Krumdick, Greg K [Crete, IL

2009-12-15

A new method for improving the efficiency of electrodialysis (ED) cells and stacks, in particular those used in chemical synthesis. The process entails adding a buffer solution to the stack for subsequent depletion in the stack during electrolysis. The buffer solution is regenerated continuously after depletion. This buffer process serves to control the hydrogen ion or hydroxide ion concentration so as to protect the active sites of electrodialysis membranes. The process enables electrodialysis processing options for products that are sensitive to pH changes.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Personick, Michelle L.; Montemore, Matthew M.; Kaxiras, Efthimios

Decreasing energy consumption in the production of platform chemicals is necessary to improve the sustainability of the chemical industry, which is the largest consumer of delivered energy. The majority of industrial chemical transformations rely on catalysts, and therefore designing new materials that catalyse the production of important chemicals via more selective and energy-efficient processes is a promising pathway to reducing energy use by the chemical industry. Efficiently designing new catalysts benefits from an integrated approach involving fundamental experimental studies and theoretical modelling in addition to evaluation of materials under working catalytic conditions. In this paper, we outline this approach inmore » the context of a particular catalyst—nanoporous gold (npAu)—which is an unsupported, dilute AgAu alloy catalyst that is highly active for the selective oxidative transformation of alcohols. Fundamental surface science studies on Au single crystals and AgAu thin-film alloys in combination with theoretical modelling were used to identify the principles which define the reactivity of npAu and subsequently enabled prediction of new reactive pathways on this material. Specifically, weak van der Waals interactions are key to the selectivity of Au materials, including npAu. Finally, we also briefly describe other systems in which this integrated approach was applied.« less

Kinetic and energetic paradigms for dye-sensitized solar cells: moving from the ideal to the real.

PubMed

O'Regan, Brian C; Durrant, James R

2009-11-17

Dye-sensitized solar cells (DSSCs) are photoelectrochemical solar cells. Their function is based on photoinduced charge separation at a dye-sensitized interface between a nanocrystalline, mesoporous metal oxide electrode and a redox electrolyte. They have been the subject of substantial academic and commercial research over the last 20 years, motivated by their potential as a low-cost solar energy conversion technology. Substantial progress has been made in enhancing the efficiency, stability, and processability of this technology and, in particular, the interplay between these technology drivers. However, despite intense research efforts, our ability to identify predictive materials and structure/device function relationships and, thus, achieve the rational optimization of materials and device design, remains relatively limited. A key challenge in developing such predictive design tools is the chemical complexity of the device. DSSCs comprise distinct materials components, including metal oxide nanoparticles, a molecular sensitizer dye, and a redox electrolyte, all of which exhibit complex interactions with each other. In particular, the electrolyte alone is chemically complex, including not only a redox couple (almost always iodide/iodine) but also a range of additional additives found empirically to enhance device performance. These molecular solutes make up typically 20% of the electrolyte by volume. As with most molecular systems, they exhibit complex interactions with both themselves and the other device components (e.g., the sensitizer dye and the metal oxide). Moreover, these interactions can be modulated by solar irradiation and device operation. As such, understanding the function of these photoelectrochemical solar cells requires careful consideration of the chemical complexity and its impact upon device operation. In this Account, we focus on the process by which electrons injected into the nanocrystalline electrode are collected by the external electrical circuit in real devices under operating conditions. We first of all summarize device function, including the energetics and kinetics of the key processes, using an "idealized" description, which does not fully account for much of the chemical complexity of the system. We then go on to consider recent advances in our understanding of the impact of these complexities upon the efficiency of electron collection. These include "catalysis" of interfacial recombination losses by surface adsorption processes and the influence of device operating conditions upon the recombination rate constant and conduction band energy, both attributed to changes in the chemical composition of the interface. We go on to discuss appropriate methodologies for quantifying the efficiency of electron collection in devices under operation. Finally, we show that, by taking into account these advances in our understanding of the DSSC function, we are able to recreate the current/voltage curves of both efficient and degraded devices without any fitting parameters and, thus, gain significant insight into the determinants of DSSC performance.

STEP wastewater treatment: a solar thermal electrochemical process for pollutant oxidation.

PubMed

Wang, Baohui; Wu, Hongjun; Zhang, Guoxue; Licht, Stuart

2012-10-01

A solar thermal electrochemical production (STEP) pathway was established to utilize solar energy to drive useful chemical processes. In this paper, we use experimental chemistry for efficient STEP wastewater treatment, and suggest a theory based on the decreasing stability of organic pollutants (hydrocarbon oxidation potentials) with increasing temperature. Exemplified by the solar thermal electrochemical oxidation of phenol, the fundamental model and experimental system components of this process outline a general method for the oxidation of environmentally stable organic pollutants into carbon dioxide, which is easily removed. Using thermodynamic calculations we show a sharply decreasing phenol oxidation potential with increasing temperature. The experimental results demonstrate that this increased temperature can be supplied by solar thermal heating. In combination this drives electrochemical phenol removal with enhanced oxidation efficiency through (i) a thermodynamically driven decrease in the energy needed to fuel the process and (ii) improved kinetics to sustain high rates of phenol oxidation at low electrochemical overpotential. The STEP wastewater treatment process is synergistic in that it is performed with higher efficiency than either electrochemical or photovoltaic conversion process acting alone. STEP is a green, efficient, safe, and sustainable process for organic wastewater treatment driven solely by solar energy. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The development of an unconventional food regeneration process: Quantifying the nutritional components of a model methylotrophic yeast

NASA Technical Reports Server (NTRS)

Petersen, G. R.; Stokes, B. O.

1986-01-01

A hybrid chemical/biological approach to unconventional food regeneration is discussed. Carbon dioxide and water, the major wastes of human metabolism would be converted to methanol by one of several physiochemical processes available (thermal, photocatalytic, etc.). Methanol is then used to supply carbon and energy for the culture of microorganisms which in turn produce biological useful basic food stuffs for human nutrition. Our work has focused on increasing the carbohydrate levels of a candidate methylotrophic yeast to more nearly coincide with human nutritional requirements. Yeasts were chosen due to their high carbohydrate levels compared to bacteria and their present familiarity in the human diet. The initial candidate yeast studied was a thermotolerant strain of Hansenula polymor pha, DL-1. The quantitative results that permit an evaluation of the overall efficiency in hybrid chemical/biological food production schemes are discussed. A preliminary evaluation of the overall efficiency of such schemes is also discussed.

Ultrafast Microwave Nano-manufacturing of Fullerene-Like Metal Chalcogenides

PubMed Central

Liu, Zhen; Zhang, Lin; Wang, Ruigang; Poyraz, Selcuk; Cook, Jonathan; Bozack, Michael J.; Das, Siddhartha; Zhang, Xinyu; Hu, Liangbing

2016-01-01

Metal Chalcogenides (MCs) have emerged as an extremely important class of nanomaterials with applications ranging from lubrication to energy storage devices. Here we report our discovery of a universal, ultrafast (60 seconds), energy-efficient, and facile technique of synthesizing MC nanoparticles and nanostructures, using microwave-assisted heating. A suitable combination of chemicals was selected for reactions on Polypyrrole nanofibers (PPy-NF) in presence of microwave irradiation. The PPy-NF serves as the conducting medium to absorb microwave energy to heat the chemicals that provide the metal and the chalcogenide constituents separately. The MCs are formed as nanoparticles that eventually undergo a size-dependent, multi-stage aggregation process to yield different kinds of MC nanostructures. Most importantly, this is a single-step metal chalcogenide formation process that is much faster and much more energy-efficient than all the other existing methods and can be universally employed to produce different kinds of MCs (e.g., MoS2, and WS2). PMID:26931353

Ultrafast Microwave Nano-manufacturing of Fullerene-Like Metal Chalcogenides

NASA Astrophysics Data System (ADS)

Liu, Zhen; Zhang, Lin; Wang, Ruigang; Poyraz, Selcuk; Cook, Jonathan; Bozack, Michael J.; Das, Siddhartha; Zhang, Xinyu; Hu, Liangbing

2016-03-01

Metal Chalcogenides (MCs) have emerged as an extremely important class of nanomaterials with applications ranging from lubrication to energy storage devices. Here we report our discovery of a universal, ultrafast (60 seconds), energy-efficient, and facile technique of synthesizing MC nanoparticles and nanostructures, using microwave-assisted heating. A suitable combination of chemicals was selected for reactions on Polypyrrole nanofibers (PPy-NF) in presence of microwave irradiation. The PPy-NF serves as the conducting medium to absorb microwave energy to heat the chemicals that provide the metal and the chalcogenide constituents separately. The MCs are formed as nanoparticles that eventually undergo a size-dependent, multi-stage aggregation process to yield different kinds of MC nanostructures. Most importantly, this is a single-step metal chalcogenide formation process that is much faster and much more energy-efficient than all the other existing methods and can be universally employed to produce different kinds of MCs (e.g., MoS2, and WS2).

Ultrafast Microwave Nano-manufacturing of Fullerene-Like Metal Chalcogenides.

PubMed

Liu, Zhen; Zhang, Lin; Wang, Ruigang; Poyraz, Selcuk; Cook, Jonathan; Bozack, Michael J; Das, Siddhartha; Zhang, Xinyu; Hu, Liangbing

2016-03-02

Metal Chalcogenides (MCs) have emerged as an extremely important class of nanomaterials with applications ranging from lubrication to energy storage devices. Here we report our discovery of a universal, ultrafast (60 seconds), energy-efficient, and facile technique of synthesizing MC nanoparticles and nanostructures, using microwave-assisted heating. A suitable combination of chemicals was selected for reactions on Polypyrrole nanofibers (PPy-NF) in presence of microwave irradiation. The PPy-NF serves as the conducting medium to absorb microwave energy to heat the chemicals that provide the metal and the chalcogenide constituents separately. The MCs are formed as nanoparticles that eventually undergo a size-dependent, multi-stage aggregation process to yield different kinds of MC nanostructures. Most importantly, this is a single-step metal chalcogenide formation process that is much faster and much more energy-efficient than all the other existing methods and can be universally employed to produce different kinds of MCs (e.g., MoS2, and WS2).

A review of ion and metal pollutants in urban green water infrastructures.

PubMed

Kabir, Md Imran; Daly, Edoardo; Maggi, Federico

2014-02-01

In urban environments, the breakdown of chemicals and pollutants, especially ions and metal compounds, can be favoured by green water infrastructures (GWIs). The overall aim of this review is to set the basis to model GWIs using deterministic approaches in contrast to empirical ones. If a better picture of chemicals and pollutant input and an improved understanding of hydrological and biogeochemical processes affecting these pollutants were known, GWIs could be designed to efficiently retain these pollutants for site-specific meteorological patterns and pollutant load. To this end, we surveyed the existing literature to retrieve a comprehensive dataset of anions and cations, and alkaline and transition metal pollutants incoming to urban environments. Based on this survey, we assessed the pollution load and ecological risk indexes for metals. The existing literature was then surveyed to review the metal retention efficiency of GWIs, and possible biogeochemical processes related to inorganic metal compounds were proposed that could be integrated in biogeochemical models of GWIs. © 2013.

Semiconductor photoelectrochemistry

NASA Technical Reports Server (NTRS)

Buoncristiani, A. M.; Byvik, C. E.

1983-01-01

Semiconductor photoelectrochemical reactions are investigated. A model of the charge transport processes in the semiconductor, based on semiconductor device theory, is presented. It incorporates the nonlinear processes characterizing the diffusion and reaction of charge carriers in the semiconductor. The model is used to study conditions limiting useful energy conversion, specifically the saturation of current flow due to high light intensity. Numerical results describing charge distributions in the semiconductor and its effects on the electrolyte are obtained. Experimental results include: an estimate rate at which a semiconductor photoelectrode is capable of converting electromagnetic energy into chemical energy; the effect of cell temperature on the efficiency; a method for determining the point of zero zeta potential for macroscopic semiconductor samples; a technique using platinized titanium dioxide powders and ultraviolet radiation to produce chlorine, bromine, and iodine from solutions containing their respective ions; the photoelectrochemical properties of a class of layered compounds called transition metal thiophosphates; and a technique used to produce high conversion efficiency from laser radiation to chemical energy.

Cavitation Generation and Usage Without Ultrasound: Hydrodynamic Cavitation

NASA Astrophysics Data System (ADS)

Gogate, Parag R.; Pandit, Aniruddha B.

Hydrodynamic Cavitation, which was and is still looked upon as an unavoidable nuisance in the flow systems, can be a serious contender as an alternative to acoustic cavitation for harnessing the spectacular effects of cavitation in physical and chemical processing. The present chapter covers the basics of hydrodynamic cavitation including the considerations for the bubble dynamics analysis, reactor designs and recommendations for optimum operating parameters. An overview of applications in different areas of physical, chemical and biological processing on scales ranging from few grams to several hundred kilograms has also been presented. Since hydrodynamic cavitation was initially proposed as an alternative to acoustic cavitation, it is necessary to compare the efficacy of both these modes of cavitations for a variety of applications and hence comparisons have been discussed either on the basis of energy efficiency or based on the scale of operation. Overall it appears that hydrodynamic cavitation results in conditions similar to those generated using acoustic cavitation but at comparatively much larger scale of operation and with better energy efficiencies.

Poultry slaughterhouse wastewater treatment plant for high quality effluent.

PubMed

Del Nery, V; Damianovic, M H Z; Moura, R B; Pozzi, E; Pires, E C; Foresti, E

2016-01-01

This paper assesses a wastewater treatment plant (WWTP) regarding the technology used, as well as organic matter and nutrient removal efficiencies aiming to optimize the treatment processes involved and wastewater reclamation. The WWTP consists of a dissolved air flotation (DAF) system, an upflow anaerobic sludge blanket (UASB) reactor, an aerated-facultative pond (AFP) and a chemical-DAF system. The removal efficiencies of chemical oxygen demand (COD) (97.9 ± 1.0%), biochemical oxygen demand (BOD) (98.6 ± 1.0%) and oil and grease (O&G) (91.1 ± 5.2%) at the WWTP, the nitrogen concentration of 17 ± 11 mg N-NH3 and phosphorus concentration of 1.34 ± 0.93 mg PO4(-3)/L in the final effluent indicate that the processes used are suitable to comply with discharge standards in water bodies. Nitrification and denitrification tests conducted using biomass collected at three AFP points indicated that nitrification and denitrification could take place in the pond.

Removal of trace organic chemical contaminants by a membrane bioreactor.

PubMed

Trinh, T; van den Akker, B; Stuetz, R M; Coleman, H M; Le-Clech, P; Khan, S J

2012-01-01

Emerging wastewater treatment processes such as membrane bioreactors (MBRs) have attracted a significant amount of interest internationally due to their ability to produce high quality effluent suitable for water recycling. It is therefore important that their efficiency in removing hazardous trace organic contaminants be assessed. Accordingly, this study investigated the removal of trace organic chemical contaminants through a full-scale, package MBR in New South Wales, Australia. This study was unique in the context of MBR research because it characterised the removal of 48 trace organic chemical contaminants, which included steroidal hormones, xenoestrogens, pesticides, caffeine, pharmaceuticals and personal care products (PPCPs). Results showed that the removal of most trace organic chemical contaminants through the MBR was high (above 90%). However, amitriptyline, carbamazepine, diazepam, diclofenac, fluoxetine, gemfibrozil, omeprazole, sulphamethoxazole and trimethoprim were only partially removed through the MBR with the removal efficiencies of 24-68%. These are potential indicators for assessing MBR performance as these chemicals are usually sensitive to changes in the treatment systems. The trace organic chemical contaminants detected in the MBR permeate were 1 to 6 orders of magnitude lower than guideline values reported in the Australian Guidelines for Water Recycling. The outcomes of this study enhanced our understanding of the levels and removal of trace organic contaminants by MBRs.

Nutrients removal from undiluted cattle farm wastewater by the two-stage process of microalgae-based wastewater treatment.

PubMed

Lv, Junping; Liu, Yang; Feng, Jia; Liu, Qi; Nan, Fangru; Xie, Shulian

2018-05-24

Chlorella vulgaris was selected from five freshwater microalgal strains of Chlorophyta, and showed a good potential in nutrients removal from undiluted cattle farm wastewater. By the end of treatment, 62.30%, 81.16% and 85.29% of chemical oxygen demand (COD), ammonium (NH 4 + -N) and total phosphorus (TP) were removed. Then two two-stage processes were established to enhance nutrients removal efficiency for meeting the discharge standards of China. The process A was the biological treatment via C. vulgaris followed by the biological treatment via C. vulgaris, and the process B was the biological treatment via C. vulgaris followed by the activated carbon adsorption. After 3-5 d of treatment of wastewater via the two processes, the nutrients removal efficiency of COD, NH 4 + -N and TP were 91.24%-92.17%, 83.16%-94.27% and 90.98%-94.41%, respectively. The integrated two-stage process could strengthen nutrients removal efficiency from undiluted cattle farm wastewater with high organic substance and nitrogen concentration. Copyright © 2018 Elsevier Ltd. All rights reserved.

The GA sulfur-iodine water-splitting process - A status report

NASA Astrophysics Data System (ADS)

Besenbruch, G. E.; Chiger, H. D.; McCorkle, K. H.; Norman, J. H.; Rode, J. S.; Schuster, J. R.; Trester, P. W.

The development of a sulfur-iodine thermal water splitting cycle is described. The process features a 50% thermal efficiency, plus all liquid and gas handling. Basic chemical investigations comprised the development of multitemperature and multistage sulfuric acid boost reactors, defining the phase behavior of the HI/I2/H2O/H3PO4 mixtures, and development of a decomposition process for hydrogen iodide in the liquid phase. Initial process engineering studies have led to a 47% efficiency, improvements of 2% projected, followed by coupling high-temperature solar concentrators to the splitting processes to reduce power requirements. Conceptual flowsheets developed from bench models are provided; materials investigations have concentrated on candidates which can withstand corrosive mixtures at temperatures up to 400 deg K, with Hastelloy C-276 exhibiting the best properties for containment and heat exchange to I2.

The GA sulfur-iodine water-splitting process - A status report

NASA Technical Reports Server (NTRS)

Besenbruch, G. E.; Chiger, H. D.; Mccorkle, K. H.; Norman, J. H.; Rode, J. S.; Schuster, J. R.; Trester, P. W.

1981-01-01

The development of a sulfur-iodine thermal water splitting cycle is described. The process features a 50% thermal efficiency, plus all liquid and gas handling. Basic chemical investigations comprised the development of multitemperature and multistage sulfuric acid boost reactors, defining the phase behavior of the HI/I2/H2O/H3PO4 mixtures, and development of a decomposition process for hydrogen iodide in the liquid phase. Initial process engineering studies have led to a 47% efficiency, improvements of 2% projected, followed by coupling high-temperature solar concentrators to the splitting processes to reduce power requirements. Conceptual flowsheets developed from bench models are provided; materials investigations have concentrated on candidates which can withstand corrosive mixtures at temperatures up to 400 deg K, with Hastelloy C-276 exhibiting the best properties for containment and heat exchange to I2.

Enhanced energy conversion efficiency from high strength synthetic organic wastewater by sequential dark fermentative hydrogen production and algal lipid accumulation.

PubMed

Ren, Hong-Yu; Liu, Bing-Feng; Kong, Fanying; Zhao, Lei; Xing, Defeng; Ren, Nan-Qi

2014-04-01

A two-stage process of sequential dark fermentative hydrogen production and microalgal cultivation was applied to enhance the energy conversion efficiency from high strength synthetic organic wastewater. Ethanol fermentation bacterium Ethanoligenens harbinense B49 was used as hydrogen producer, and the energy conversion efficiency and chemical oxygen demand (COD) removal efficiency reached 18.6% and 28.3% in dark fermentation. Acetate was the main soluble product in dark fermentative effluent, which was further utilized by microalga Scenedesmus sp. R-16. The final algal biomass concentration reached 1.98gL(-1), and the algal biomass was rich in lipid (40.9%) and low in protein (23.3%) and carbohydrate (11.9%). Compared with single dark fermentation stage, the energy conversion efficiency and COD removal efficiency of two-stage system remarkably increased 101% and 131%, respectively. This research provides a new approach for efficient energy production and wastewater treatment using a two-stage process combining dark fermentation and algal cultivation. Copyright © 2014 Elsevier Ltd. All rights reserved.

Text Mining Effectively Scores and Ranks the Literature for Improving Chemical-Gene-Disease Curation at the Comparative Toxicogenomics Database

PubMed Central

Johnson, Robin J.; Lay, Jean M.; Lennon-Hopkins, Kelley; Saraceni-Richards, Cynthia; Sciaky, Daniela; Murphy, Cynthia Grondin; Mattingly, Carolyn J.

2013-01-01

The Comparative Toxicogenomics Database (CTD; http://ctdbase.org/) is a public resource that curates interactions between environmental chemicals and gene products, and their relationships to diseases, as a means of understanding the effects of environmental chemicals on human health. CTD provides a triad of core information in the form of chemical-gene, chemical-disease, and gene-disease interactions that are manually curated from scientific articles. To increase the efficiency, productivity, and data coverage of manual curation, we have leveraged text mining to help rank and prioritize the triaged literature. Here, we describe our text-mining process that computes and assigns each article a document relevancy score (DRS), wherein a high DRS suggests that an article is more likely to be relevant for curation at CTD. We evaluated our process by first text mining a corpus of 14,904 articles triaged for seven heavy metals (cadmium, cobalt, copper, lead, manganese, mercury, and nickel). Based upon initial analysis, a representative subset corpus of 3,583 articles was then selected from the 14,094 articles and sent to five CTD biocurators for review. The resulting curation of these 3,583 articles was analyzed for a variety of parameters, including article relevancy, novel data content, interaction yield rate, mean average precision, and biological and toxicological interpretability. We show that for all measured parameters, the DRS is an effective indicator for scoring and improving the ranking of literature for the curation of chemical-gene-disease information at CTD. Here, we demonstrate how fully incorporating text mining-based DRS scoring into our curation pipeline enhances manual curation by prioritizing more relevant articles, thereby increasing data content, productivity, and efficiency. PMID:23613709

Effect of drug physico-chemical properties on the efficiency of top-down process and characterization of nanosuspension.

PubMed

Liu, Tao; Müller, Rainer H; Möschwitzer, Jan P

2015-01-01

The top-down approach is frequently used for drug nanocrystal production. A large number of review papers have referred to the top-down approach in terms of process parameters such as stabilizer selection. However, a very important factor, that is, the influence of drug properties, has been not addressed so far. This review will first discuss different nanocrystal technologies in brief. The focus will be on reviewing the different drug properties such as solid state and particle morphology on the efficiency of particle size reduction during top-down processes. Furthermore, the drug properties in the final nanosuspensions are critical for drug dissolution velocity. Therefore, another focus is the characterization of drugs in obtained nanosuspension. Drug physical properties play an important role in the production efficiency. The combinative technologies using modified drugs could significantly improve the performances of top-down processes. However, further understanding of the drug millability and homogenization will still be needed. In addition, a carefully established characterization system for nansuspension is essential.

Chemical Abundances of Giants in Globular Clusters

NASA Astrophysics Data System (ADS)

Gratton, Raffaele G.; Bragaglia, Angela; Carretta, Eugenio; D'Orazi, Valentina; Lucatello, Sara

A large fraction of stars form in clusters. According to a widespread paradigma, stellar clusters are prototypes of single stellar populations. According to this concept, they formed on a very short time scale, and all their stars share the same chemical composition. Recently it has been understood that massive stellar clusters (the globular clusters) rather host various stellar populations, characterized by different chemical composition: these stellar populations have also slightly different ages, stars of the second generations being formed from the ejecta of part of those of an earlier one. Furthermore, it is becoming clear that the efficiency of the process is quite low: many more stars formed within this process than currently present in the clusters. This implies that a significant, perhaps even dominant fraction of the ancient population of galaxies formed within the episodes that lead to formation the globular clusters.

Chemical pyrolysis of E-waste plastics: Char characterization.

PubMed

Shen, Yafei; Chen, Xingming; Ge, Xinlei; Chen, Mindong

2018-05-15

This work studied the disposal of the non-metallic fraction from waste printed circuit board (NMF-WPCB) via the chemical pretreatments followed by pyrolysis. As a main heavy metal, the metallic Cu could be significantly removed by 92.4% using the HCl leaching process. Subsequently, the organic-Br in the brominated flame retardants (BFRs) plastics could be converted into HBr by pyrolysis. The alkali pretreatment was benefit for the Br fixation in the solid char. The Br fixation efficiency could reach up to 53.6% by the NaOH pretreatment followed by the pyrolysis process. The formed HBr could react with NaOH/KOH to generate the stabilized NaBr/KBr. Therefore, the integrated chemical pretreatment could be used for the eco-friendly disposal of the NMF-WPCB via pyrolysis. Copyright © 2018 Elsevier Ltd. All rights reserved.

A laboratory investigation of the effectiveness of various skin and surface decontaminants for aliphatic polyisocyanates.

PubMed

Bello, Dhimiter; Woskie, Susan R; Streicher, Robert P; Stowe, Meredith H; Sparer, Judy; Redlich, Carrie A; Cullen, Mark R; Liu, Youcheng

2005-07-01

Isocyanates may cause contact dermatitis and respiratory sensitization leading to asthma. Dermal exposure to aliphatic isocyanates in auto body shops is very common. However, little is known about the effectiveness of available commercial products used for decontaminating aliphatic polyisocyanates. This experimental study evaluated the decontamination effectiveness of aliphatic polyisocyanates for several skin and surface decontaminants available for use in the auto body industry. The efficiency of two major decontamination mechanisms, namely (i) consumption of free isocyanate groups via chemical reactions with active hydrogen components of the decontaminant and (ii) physical removal processes such as dissolution were studied separately for each decontaminant. Considerable differences were observed among surface decontaminants in their rate of isocyanate consumption, of which those containing free amine groups performed the best. Overall, Pine-Sol(R) MEA containing monoethanolamine was the most efficient surface decontaminant, operating primarily via chemical reaction with the isocyanate group. Polypropylene glycol (PPG) had the highest physical removal efficiency and the lowest reaction rate with isocyanates. All tested skin decontaminants performed similarly, accomplishing decontamination primarily via physical processes and removing 70-80% of isocyanates in one wiping. Limitations of these skin decontaminants are discussed and alternatives presented. In vitro testing using animal skins and in vivo testing with field workers are being conducted to further assess the efficiency and identify related determinants.

Microwave-Assisted Ignition for Improved Internal Combustion Engine Efficiency

NASA Astrophysics Data System (ADS)

DeFilippo, Anthony Cesar

The ever-present need for reducing greenhouse gas emissions associated with transportation motivates this investigation of a novel ignition technology for internal combustion engine applications. Advanced engines can achieve higher efficiencies and reduced emissions by operating in regimes with diluted fuel-air mixtures and higher compression ratios, but the range of stable engine operation is constrained by combustion initiation and flame propagation when dilution levels are high. An advanced ignition technology that reliably extends the operating range of internal combustion engines will aid practical implementation of the next generation of high-efficiency engines. This dissertation contributes to next-generation ignition technology advancement by experimentally analyzing a prototype technology as well as developing a numerical model for the chemical processes governing microwave-assisted ignition. The microwave-assisted spark plug under development by Imagineering, Inc. of Japan has previously been shown to expand the stable operating range of gasoline-fueled engines through plasma-assisted combustion, but the factors limiting its operation were not well characterized. The present experimental study has two main goals. The first goal is to investigate the capability of the microwave-assisted spark plug towards expanding the stable operating range of wet-ethanol-fueled engines. The stability range is investigated by examining the coefficient of variation of indicated mean effective pressure as a metric for instability, and indicated specific ethanol consumption as a metric for efficiency. The second goal is to examine the factors affecting the extent to which microwaves enhance ignition processes. The factors impacting microwave enhancement of ignition processes are individually examined, using flame development behavior as a key metric in determining microwave effectiveness. Further development of practical combustion applications implementing microwave-assisted spark technology will benefit from predictive models which include the plasma processes governing the observed combustion enhancement. This dissertation documents the development of a chemical kinetic mechanism for the plasma-assisted combustion processes relevant to microwave-assisted spark ignition. The mechanism includes an existing mechanism for gas-phase methane oxidation, supplemented with electron impact reactions, cation and anion chemical reactions, and reactions involving vibrationally-excited and electronically-excited species. Calculations using the presently-developed numerical model explain experimentally-observed trends, highlighting the relative importance of pressure, temperature, and mixture composition in determining the effectiveness of microwave-assisted ignition enhancement.

Biological degradation of dense nonaqueous phase liquids (DNAPLs)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ensley, B.; Strong-Gunderson, J.M.; Palumbo, A.V.

1996-08-01

In situ bioremediation is a very attractive, safe and efficient method of not only removing, but eliminating hazardous compounds from the environment. However, the quickest and most efficient method of restoring a hazardous waste site would be to link several remediation processes. In situ biodegradation can involve the addition of nutrients, oxygen, electron donors, electron acceptors, organisms or all the above. These amendments can be introduced and coupled to a variety of other technologies such as permeability enhancements, chemical treatments and/or physical processes. In addition to in situ technologies, bioremediation in bioreactors is an efficient tool facilitating mineralization of contaminants.more » Overall, biodegradation has a significant potential to increase the rate of site restoration and decrease overall costs. 37 refs., 2 figs.« less

2-Keto acids based biosynthesis pathways for renewable fuels and chemicals.

PubMed

Tashiro, Yohei; Rodriguez, Gabriel M; Atsumi, Shota

2015-03-01

Global energy and environmental concerns have driven the development of biological chemical production from renewable sources. Biological processes using microorganisms are efficient and have been traditionally utilized to convert biomass (i.e., glucose) to useful chemicals such as amino acids. To produce desired fuels and chemicals with high yield and rate, metabolic pathways have been enhanced and expanded with metabolic engineering and synthetic biology approaches. 2-Keto acids, which are key intermediates in amino acid biosynthesis, can be converted to a wide range of chemicals. 2-Keto acid pathways were engineered in previous research efforts and these studies demonstrated that 2-keto acid pathways have high potential for novel metabolic routes with high productivity. In this review, we discuss recently developed 2-keto acid-based pathways.

The principles of ultrasound and its application in freezing related processes of food materials: A review.

PubMed

Cheng, Xinfeng; Zhang, Min; Xu, Baoguo; Adhikari, Benu; Sun, Jincai

2015-11-01

Ultrasonic processing is a novel and promising technology in food industry. The propagation of ultrasound in a medium generates various physical and chemical effects and these effects have been harnessed to improve the efficiency of various food processing operations. Ultrasound has also been used in food quality control as diagnostic technology. This article provides an overview of recent developments related to the application of ultrasound in low temperature and closely related processes such as freezing, thawing, freeze concentration and freeze drying. The applications of high intensity ultrasound to improve the efficiency of freezing process, to control the size and size distribution of ice crystals and to improve the quality of frozen foods have been discussed in considerable detail. The use of low intensity ultrasound in monitoring the ice content and to monitor the progress of freezing process has also been highlighted. Copyright © 2015 Elsevier B.V. All rights reserved.

Predicting the Future: Opportunities and Challenges for the Chemical Industry to Apply 21st-Century Toxicity Testing

PubMed Central

Settivari, Raja S; Ball, Nicholas; Murphy, Lynea; Rasoulpour, Reza; Boverhof, Darrell R; Carney, Edward W

2015-01-01

Interest in applying 21st-century toxicity testing tools for safety assessment of industrial chemicals is growing. Whereas conventional toxicology uses mainly animal-based, descriptive methods, a paradigm shift is emerging in which computational approaches, systems biology, high-throughput in vitro toxicity assays, and high-throughput exposure assessments are beginning to be applied to mechanism-based risk assessments in a time- and resource-efficient fashion. Here we describe recent advances in predictive safety assessment, with a focus on their strategic application to meet the changing demands of the chemical industry and its stakeholders. The opportunities to apply these new approaches is extensive and include screening of new chemicals, informing the design of safer and more sustainable chemical alternatives, filling information gaps on data-poor chemicals already in commerce, strengthening read-across methodology for categories of chemicals sharing similar modes of action, and optimizing the design of reduced-risk product formulations. Finally, we discuss how these predictive approaches dovetail with in vivo integrated testing strategies within repeated-dose regulatory toxicity studies, which are in line with 3Rs principles to refine, reduce, and replace animal testing. Strategic application of these tools is the foundation for informed and efficient safety assessment testing strategies that can be applied at all stages of the product-development process. PMID:25836969

Nanocellulose-Based Materials for Water Purification

PubMed Central

Voisin, Hugo; Bergström, Lennart; Liu, Peng; Mathew, Aji P.

2017-01-01

Nanocellulose is a renewable material that combines a high surface area with high strength, chemical inertness, and versatile surface chemistry. In this review, we will briefly describe how nanocellulose is produced, and present—in particular, how nanocellulose and its surface modified versions affects the adsorption behavior of important water pollutants, e.g., heavy metal species, dyes, microbes, and organic molecules. The processing of nanocellulose-based membranes and filters for water purification will be described in detail, and the uptake capacity, selectivity, and removal efficiency will also be discussed. The processing and performance of nanocellulose-based membranes, which combine a high removal efficiency with anti-fouling properties, will be highlighted. PMID:28336891

Holographic optical element for laser soldering

NASA Astrophysics Data System (ADS)

Nakahara, Sumio; Hayashi, Tatsuya; Sudou, Noriyuki; Hisada, Shigeyoshi; Fujita, Takeyoshi

2002-02-01

Experimental studies on the characteristics of holographic lens were carried out, aiming at the simultaneous soldering of multi-spots in electronic assembly by the use of YAG laser. Holograms were recorded on the commercial available photographic plates, and converted into transparent phase type holographic lens by chemical processing. The dependencies of the diffraction efficiency on the recording conditions and two chemical treatment methods of silver halide sensitized gelatin and rehalogenating bleaching were examined in CW YAG laser system ((lambda) equals 1.06 micrometers ).

Evolutionary engineering of Saccharomyces cerevisiae for efficient aerobic xylose consumption

Treesearch

Gionata Scalcinati; Jose´ Manuel Otero; Jennifer R.H. Van Vleet; Thomas W. Jeffries; Lisbeth Olsson; Jens Nielsen

2012-01-01

Industrial biotechnology aims to develop robust microbial cell factories, such as , to produce an array of added value chemicals presently dominated by petrochemical processes. Xylose is the second most abundant monosaccharide after glucose and the most prevalent pentose sugar found in lignocelluloses. Significant research...

Microwave-assisted maleation of tung oil for bio-based products

USDA-ARS?s Scientific Manuscript database

In this work, a simple, “green” and convenient chemical modification of tung oil for maleinized tung oil (TOMA) was developed via microwave-assisted one-step maleation. This modifying process did not involve any solvent, catalyst, or initiator, but demonstrated the most efficiency of functionalizing...

Variation in nitrogen use efficiencies on Dutch dairy farms.

PubMed

Daatselaar, Co Hg; Reijs, Joan R; Oenema, Jouke; Doornewaard, Gerben J; Aarts, H Frans M

2015-12-01

On dairy farms, the input of nutrients including nitrogen is higher than the output in products such as milk and meat. This causes losses of nitrogen to the environment. One of the indicators for the losses of nitrogen is the nitrogen use efficiency. In the Dutch Minerals Policy Monitoring Program (LMM), many data on nutrients of a few hundred farms are collected which can be processed by the instrument Annual Nutrient Cycle Assessment (ANCA, in Dutch: Kringloopwijzer) in order to provide nitrogen use efficiencies. After dividing the dairy farms (available in the LMM program) according to soil type and in different classes for milk production ha(-1) , it is shown that considerable differences in nitrogen use efficiency exist between farms on the same soil type and with the same level of milk production ha(-1) . This offers opportunities for improvement of the nitrogen use efficiency on many dairy farms. Benchmarking will be a useful first step in this process. © 2015 Society of Chemical Industry.

A naphthodithiophene-diketopyrrolopyrrole donor molecule for efficient solution-processed solar cells.

PubMed

Loser, Stephen; Bruns, Carson J; Miyauchi, Hiroyuki; Ortiz, Rocío Ponce; Facchetti, Antonio; Stupp, Samuel I; Marks, Tobin J

2011-06-01

We report the synthesis, characterization, and first implementation of a naphtho[2,3-b:6,7-b']dithiophene (NDT)-based donor molecule in highly efficient organic photovoltaics (OPVs). When NDT(TDPP)(2) (TDPP = thiophene-capped diketopyrrolopyrrole) is combined with the electron acceptor PC(61)BM, a power conversion efficiency (PCE) of 4.06 ± 0.06% is achieved-a record for a PC(61)BM-based small-molecule OPV. The substantial PCE is attributed to the broad, high oscillator strength visible absorption, the ordered molecular packing, and an exceptional hole mobility of NDT(TDPP)(2). © 2011 American Chemical Society

Predicting drug side-effect profiles: a chemical fragment-based approach

PubMed Central

2011-01-01

Background Drug side-effects, or adverse drug reactions, have become a major public health concern. It is one of the main causes of failure in the process of drug development, and of drug withdrawal once they have reached the market. Therefore, in silico prediction of potential side-effects early in the drug discovery process, before reaching the clinical stages, is of great interest to improve this long and expensive process and to provide new efficient and safe therapies for patients. Results In the present work, we propose a new method to predict potential side-effects of drug candidate molecules based on their chemical structures, applicable on large molecular databanks. A unique feature of the proposed method is its ability to extract correlated sets of chemical substructures (or chemical fragments) and side-effects. This is made possible using sparse canonical correlation analysis (SCCA). In the results, we show the usefulness of the proposed method by predicting 1385 side-effects in the SIDER database from the chemical structures of 888 approved drugs. These predictions are performed with simultaneous extraction of correlated ensembles formed by a set of chemical substructures shared by drugs that are likely to have a set of side-effects. We also conduct a comprehensive side-effect prediction for many uncharacterized drug molecules stored in DrugBank, and were able to confirm interesting predictions using independent source of information. Conclusions The proposed method is expected to be useful in various stages of the drug development process. PMID:21586169

Integrated aerobic biological-chemical treatment of winery wastewater diluted with urban wastewater. LED-based photocatalysis in the presence of monoperoxysulfate.

PubMed

Solís, Rafael R; Rivas, Francisco Javier; Ferreira, Leonor C; Pirra, Antonio; Peres, José A

2018-01-28

The oxidation of Winery Wastewater (WW) by conventional aerobic biological treatment usually leads to inefficient results due to the presence of organic substances, which are recalcitrant or toxic in conventional procedures. This study explores the combination of biological and chemical processes in order to complete the oxidation of biodegradable and non-biodegradable compounds in two sequential steps. Thus, a biological oxidation of a diluted WW is carried out by using the activated sludge process. Activated sludge was gradually acclimated to the Diluted Winery Wastewater (DWW). Some aspects concerning the biological process were evaluated (kinetics of the oxidation and sedimentation of the sludge produced). The biological treatment of the DWW led to a 40-50% of Chemical Oxygen Demand (COD) removal in 8 h, being necessary the application of an additional process. Different chemical processes combining UVA-LEDs radiation, monoperoxysulfate (MPS) and photocatalysts were applied in order to complete the COD depletion and efficient removal of polyphenols content, poorly oxidized in the previous biological step. From the options tested, the combination of UVA, MPS and a novel LaCoO 3 -TiO 2 composite, with double route of MPS decomposition through heterogeneous catalysis and photocatalysis, led to the best results (95% of polyphenol degradation, and additional 60% of COD removal). Initial MPS concentration and pH effect in this process were assessed.

Factors Affecting Aerosol Radiative Forcing

NASA Astrophysics Data System (ADS)

Wang, Jingxu; Lin, Jintai; Ni, Ruijing

2016-04-01

Rapid industrial and economic growth has meant a large amount of aerosols in the atmosphere with strong radiative forcing (RF) upon the climate system. Over parts of the globe, the negative forcing of aerosols has overcompensated for the positive forcing of greenhouse gases. Aerosol RF is determined by emissions and various chemical-transport-radiative processes in the atmosphere, a multi-factor problem whose individual contributors have not been well quantified. In this study, we analyze the major factors affecting RF of secondary inorganic aerosols (SIOAs, including sulfate, nitrate and ammonium), primary organic aerosol (POA), and black carbon (BC). We analyze the RF of aerosols produced by 11 major regions across the globe, including but not limited to East Asia, Southeast Asia, South Asia, North America, and Western Europe. Factors analyzed include population size, per capita gross domestic production (GDP), emission intensity (i.e., emissions per unit GDP), chemical efficiency (i.e., mass per unit emissions) and radiative efficiency (i.e., RF per unit mass). We find that among the 11 regions, East Asia produces the largest emissions and aerosol RF, due to relatively high emission intensity and a tremendous population size. South Asia produce the second largest RF of SIOA and BC and the highest RF of POA, in part due to its highest chemical efficiency among all regions. Although Southeast Asia also has large emissions, its aerosol RF is alleviated by its lowest chemical efficiency. The chemical efficiency and radiative efficiency of BC produced by the Middle East-North Africa are the highest across the regions, whereas its RF is lowered by a small per capita GDP. Both North America and Western Europe have low emission intensity, compensating for the effects on RF of large population sizes and per capita GDP. There has been a momentum to transfer industries to Southeast Asia and South Asia, and such transition is expected to continue in the coming years. The resulting relocation of emissions would meant drastic changes in both the spatial distribution and the magnitude of RF, with consequences on regional and global climate forcing. Our findings are relevant to global aerosol control and climate mitigation.

Factors Affecting Aerosol Radiative Forcing

NASA Astrophysics Data System (ADS)

Wang, J.; Lin, J.; Ni, R.

2016-12-01

Rapid industrial and economic growth has meant large amount of aerosols in the atmosphere with strong radiative forcing (RF) upon the climate system. Over parts of the globe, the negative forcing of aerosols has overcompensated for the positive forcing of greenhouse gases. Aerosol RF is determined by emissions and various chemical-transport-radiative processes in the atmosphere, a multi-factor problem whose individual contributors have not been well quantified. In this study, we analyze the major factors affecting RF of secondary inorganic aerosols (SIOAs, including sulfate, nitrate and ammonium), primary organic aerosol (POA), and black carbon (BC). We analyze the RFof aerosols produced by 11 major regions across the globe, including but not limited to East Asia, Southeast Asia, South Asia, North America, and Western Europe. Factors analyzed include population size, per capita gross domestic production (GDP), emission intensity (i.e., emissionsper unit GDP), chemical efficiency (i.e., mass per unit emissions) and radiative efficiency (i.e., RF per unit mass). We find that among the 11 regions, East Asia produces the largest emissions and aerosol RF, due to relatively high emission intensity and a tremendous population size.South Asia produce the second largest RF of SIOA and BC and the highest RF of POA, in part due to its highest chemical efficiency among all regions. Although Southeast Asia also has large emissions,its aerosol RF is alleviated by its lowest chemical efficiency.The chemical efficiency and radiative efficiency of BC produced by the Middle East-North Africa are the highest across the regions, whereas its RF is loweredbyasmall per capita GDP.Both North America and Western Europe have low emission intensity, compensating for the effects on RF of large population sizes and per capita GDP. There has been a momentum to transfer industries to Southeast Asia and South Asia, and such transition is expected to continue in the coming years. The resulting relocation of emissions would meant drastic changes in both the spatial distribution and the magnitude of RF, with consequences on regional and global climate forcing. Our findings are relevant to global aerosol control and climate mitigation.

Sonochemistry in environmental remediation. 1. Combinative and hybrid sonophotochemical oxidation processes for the treatment of pollutants in water.

PubMed

Adewuyi, Yusuf G

2005-05-15

Sonoprocessing is the utilization of sonic and ultrasonic waves in chemical synthesis and processes. It is a new and rapidly growing research field with broad applications in environmental engineering, green chemical synthesis, and processing. The application of this environmentally benign technique in environmental remediation is currently under active research and development. Sonochemical oxidation is effective in treating toxic effluents and reducing toxicity. However, the ultrasonic treatment is highly energy intensive since sonication is relatively inefficient with respect to total input energy and is therefore not economically attractive or feasible alone. Hence, sonochemistry has not yet received much attention as an alternative for industrial and large-scale chemical and environmental processes. One of the most interesting topics in the recent advances in sonochemistry is the possibility of double or more excitations with ultrasound and other types of energy. The coupling of ultrasound with other free energy sources (i.e., UV) or chemical oxidation utilizing H2O2, O3, or ferrous ion presents interesting and attractive approaches. Therefore, many recent efforts have been devoted to improving the efficiency of sonochemical reactions by exploiting the advantages of combinative or hybrid processes involving the simultaneous or sequential use of ultrasonic irradiation and other advanced oxidation processes, electrochemical processes, and biological treatment. This paper provides a critical review of the applications of ultrasound in environmental remediation, focusing on recent developments and unifying analysis of combinative or hybrid systems, namely, sonophotochemical oxidation processes.

Self-cleaning and surface chemical reactions during hafnium dioxide atomic layer deposition on indium arsenide.

PubMed

Timm, Rainer; Head, Ashley R; Yngman, Sofie; Knutsson, Johan V; Hjort, Martin; McKibbin, Sarah R; Troian, Andrea; Persson, Olof; Urpelainen, Samuli; Knudsen, Jan; Schnadt, Joachim; Mikkelsen, Anders

2018-04-12

Atomic layer deposition (ALD) enables the ultrathin high-quality oxide layers that are central to all modern metal-oxide-semiconductor circuits. Crucial to achieving superior device performance are the chemical reactions during the first deposition cycle, which could ultimately result in atomic-scale perfection of the semiconductor-oxide interface. Here, we directly observe the chemical reactions at the surface during the first cycle of hafnium dioxide deposition on indium arsenide under realistic synthesis conditions using photoelectron spectroscopy. We find that the widely used ligand exchange model of the ALD process for the removal of native oxide on the semiconductor and the simultaneous formation of the first hafnium dioxide layer must be significantly revised. Our study provides substantial evidence that the efficiency of the self-cleaning process and the quality of the resulting semiconductor-oxide interface can be controlled by the molecular adsorption process of the ALD precursors, rather than the subsequent oxide formation.

Advanced Chemical Design for Efficient Lignin Bioconversion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Shangxian; Sun, Qining; Pu, Yunqiao

Here, lignin depolymerization mainly involves redox reactions relying on the effective electron transfer. Even though electron mediators were previously used for delignification of paper pulp, no study has established a bioprocess to fragment and solubilize the lignin with an effective laccase–mediator system, in particular, for subsequent microbial bioconversion. Efficient lignin depolymerization was achieved by screening proper electron mediators with laccase to attain a nearly 6-fold increase of kraft lignin solubility compared to the control kraft lignin without laccase treatment. Chemical analysis suggested the release of a low molecular weight fraction of kraft lignin into the solution phase. Moreover, NMR analysismore » revealed that an efficient enzyme–mediator system can promote the lignin degradation. More importantly, the fundamental mechanisms guided the development of an efficient lignin bioconversion process, where solubilized lignin from laccase–HBT treatment served as a superior substrate for bioconversion by Rhodococcus opacus PD630. The cell growth was increased by 10 6 fold, and the lipid titer reached 1.02 g/L. Overall, the study has manifested that an efficient enzyme–mediator–microbial system can be exploited to establish a bioprocess to solubilize lignin, cleave lignin linkages, modify the structure, and produce substrates amenable to bioconversion.« less

Advanced Chemical Design for Efficient Lignin Bioconversion

DOE PAGES

Xie, Shangxian; Sun, Qining; Pu, Yunqiao; ...

2017-01-30

Here, lignin depolymerization mainly involves redox reactions relying on the effective electron transfer. Even though electron mediators were previously used for delignification of paper pulp, no study has established a bioprocess to fragment and solubilize the lignin with an effective laccase–mediator system, in particular, for subsequent microbial bioconversion. Efficient lignin depolymerization was achieved by screening proper electron mediators with laccase to attain a nearly 6-fold increase of kraft lignin solubility compared to the control kraft lignin without laccase treatment. Chemical analysis suggested the release of a low molecular weight fraction of kraft lignin into the solution phase. Moreover, NMR analysismore » revealed that an efficient enzyme–mediator system can promote the lignin degradation. More importantly, the fundamental mechanisms guided the development of an efficient lignin bioconversion process, where solubilized lignin from laccase–HBT treatment served as a superior substrate for bioconversion by Rhodococcus opacus PD630. The cell growth was increased by 10 6 fold, and the lipid titer reached 1.02 g/L. Overall, the study has manifested that an efficient enzyme–mediator–microbial system can be exploited to establish a bioprocess to solubilize lignin, cleave lignin linkages, modify the structure, and produce substrates amenable to bioconversion.« less

Chemically pretreating slaughterhouse solid waste to increase the efficiency of anaerobic digestion.

PubMed

Flores-Juarez, Cyntia R; Rodríguez-García, Adrián; Cárdenas-Mijangos, Jesús; Montoya-Herrera, Leticia; Godinez Mora-Tovar, Luis A; Bustos-Bustos, Erika; Rodríguez-Valadez, Francisco; Manríquez-Rocha, Juan

2014-10-01

The combined effect of temperature and pretreatment of the substrate on the anaerobic treatment of the organic fraction of slaughterhouse solid waste was studied. The goal of the study was to evaluate the effect of pretreating the waste on the efficiency of anaerobic digestion. The effect was analyzed at two temperature ranges (the psychrophilic and the mesophilic ranges), in order to evaluate the effect of temperature on the performance of the anaerobic digestion process for this residue. The experiments were performed in 6 L batch reactors for 30 days. Two temperature ranges were studied: the psychrophilic range (at room temperature, 18°C average) and the mesophilic range (at 37°C). The waste was pretreated with NaOH before the anaerobic treatment. The result of pretreating with NaOH was a 194% increase in the soluble chemical oxygen demand (COD) with a dose of 0.6 g NaOH per g of volatile suspended solids (VSS). In addition, the soluble chemical oxygen demand/total chemical oxygen demand ratio (sCOD/tCOD) increased from 0.31 to 0.7. For the anaerobic treatment, better results were observed in the mesophilic range, achieving 70.7%, 47% and 47.2% removal efficiencies for tCOD, total solids (TS), and volatile solids (VS), respectively. Copyright © 2014 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

Systems Biology of Industrial Microorganisms

NASA Astrophysics Data System (ADS)

Papini, Marta; Salazar, Margarita; Nielsen, Jens

The field of industrial biotechnology is expanding rapidly as the chemical industry is looking towards more sustainable production of chemicals that can be used as fuels or building blocks for production of solvents and materials. In connection with the development of sustainable bioprocesses, it is a major challenge to design and develop efficient cell factories that can ensure cost efficient conversion of the raw material into the chemical of interest. This is achieved through metabolic engineering, where the metabolism of the cell factory is engineered such that there is an efficient conversion of sugars, the typical raw materials in the fermentation industry, into the desired product. However, engineering of cellular metabolism is often challenging due to the complex regulation that has evolved in connection with adaptation of the different microorganisms to their ecological niches. In order to map these regulatory structures and further de-regulate them, as well as identify ingenious metabolic engineering strategies that full-fill mass balance constraints, tools from systems biology can be applied. This involves both high-throughput analysis tools like transcriptome, proteome and metabolome analysis, as well as the use of mathematical modeling to simulate the phenotypes resulting from the different metabolic engineering strategies. It is in fact expected that systems biology may substantially improve the process of cell factory development, and we therefore propose the term Industrial Systems Biology for how systems biology will enhance the development of industrial biotechnology for sustainable chemical production.

Systems biology of industrial microorganisms.

PubMed

Papini, Marta; Salazar, Margarita; Nielsen, Jens

2010-01-01

The field of industrial biotechnology is expanding rapidly as the chemical industry is looking towards more sustainable production of chemicals that can be used as fuels or building blocks for production of solvents and materials. In connection with the development of sustainable bioprocesses, it is a major challenge to design and develop efficient cell factories that can ensure cost efficient conversion of the raw material into the chemical of interest. This is achieved through metabolic engineering, where the metabolism of the cell factory is engineered such that there is an efficient conversion of sugars, the typical raw materials in the fermentation industry, into the desired product. However, engineering of cellular metabolism is often challenging due to the complex regulation that has evolved in connection with adaptation of the different microorganisms to their ecological niches. In order to map these regulatory structures and further de-regulate them, as well as identify ingenious metabolic engineering strategies that full-fill mass balance constraints, tools from systems biology can be applied. This involves both high-throughput analysis tools like transcriptome, proteome and metabolome analysis, as well as the use of mathematical modeling to simulate the phenotypes resulting from the different metabolic engineering strategies. It is in fact expected that systems biology may substantially improve the process of cell factory development, and we therefore propose the term Industrial Systems Biology for how systems biology will enhance the development of industrial biotechnology for sustainable chemical production.

Combinatorial Characterization of TiO2 Chemical Vapor Deposition Utilizing Titanium Isopropoxide.

PubMed

Reinke, Michael; Ponomarev, Evgeniy; Kuzminykh, Yury; Hoffmann, Patrik

2015-07-13

The combinatorial characterization of the growth kinetics in chemical vapor deposition processes is challenging because precise information about the local precursor flow is usually difficult to access. In consequence, combinatorial chemical vapor deposition techniques are utilized more to study functional properties of thin films as a function of chemical composition, growth rate or crystallinity than to study the growth process itself. We present an experimental procedure which allows the combinatorial study of precursor surface kinetics during the film growth using high vacuum chemical vapor deposition. As consequence of the high vacuum environment, the precursor transport takes place in the molecular flow regime, which allows predicting and modifying precursor impinging rates on the substrate with comparatively little experimental effort. In this contribution, we study the surface kinetics of titanium dioxide formation using titanium tetraisopropoxide as precursor molecule over a large parameter range. We discuss precursor flux and temperature dependent morphology, crystallinity, growth rates, and precursor deposition efficiency. We conclude that the surface reaction of the adsorbed precursor molecules comprises a higher order reaction component with respect to precursor surface coverage.

Novel approaches to improving the chemical safety of the meat chain towards toxicants.

PubMed

Engel, E; Ratel, J; Bouhlel, J; Planche, C; Meurillon, M

2015-11-01

In addition to microbiological issues, meat chemical safety is a growing concern for the public authorities, chain stakeholders and consumers. Meat may be contaminated by various chemical toxicants originating from the environment, treatments of agricultural production or food processing. Generally found at trace levels in meat, these toxicants may harm human health during chronic exposure. This paper overviews the key issues to be considered to ensure better control of their occurrence in meat and assessment of the related health risk. We first describe potential contaminants of meat products. Strategies to move towards a more efficient and systematic control of meat chemical safety are then presented in a second part, with a focus on emerging approaches based on toxicogenomics. The third part presents mitigation strategies to limit the impact of process-induced toxicants in meat. Finally, the last part introduces methodological advances to refine chemical risk assessment related to the occurrence of toxicants in meat by quantifying the influence of digestion on the fraction of food contaminants that may be assimilated by the human body. Copyright © 2015 Elsevier Ltd. All rights reserved.

Single-Cell RNA-Seq Reveals Dynamic Early Embryonic-like Programs during Chemical Reprogramming.

PubMed

Zhao, Ting; Fu, Yao; Zhu, Jialiang; Liu, Yifang; Zhang, Qian; Yi, Zexuan; Chen, Shi; Jiao, Zhonggang; Xu, Xiaochan; Xu, Junquan; Duo, Shuguang; Bai, Yun; Tang, Chao; Li, Cheng; Deng, Hongkui

2018-06-12

Chemical reprogramming provides a powerful platform for exploring the molecular dynamics that lead to pluripotency. Although previous studies have uncovered an intermediate extraembryonic endoderm (XEN)-like state during this process, the molecular underpinnings of pluripotency acquisition remain largely undefined. Here, we profile 36,199 single-cell transcriptomes at multiple time points throughout a highly efficient chemical reprogramming system using RNA-sequencing and reconstruct their progression trajectories. Through identifying sequential molecular events, we reveal that the dynamic early embryonic-like programs are key aspects of successful reprogramming from XEN-like state to pluripotency, including the concomitant transcriptomic signatures of two-cell (2C) embryonic-like and early pluripotency programs and the epigenetic signature of notable genome-wide DNA demethylation. Moreover, via enhancing the 2C-like program by fine-tuning chemical treatment, the reprogramming process is remarkably accelerated. Collectively, our findings offer a high-resolution dissection of cell fate dynamics during chemical reprogramming and shed light on mechanistic insights into the nature of induced pluripotency. Copyright © 2018 Elsevier Inc. All rights reserved.

Solar-Enhanced Advanced Oxidation Processes for Water Treatment: Simultaneous Removal of Pathogens and Chemical Pollutants

PubMed Central

Tsydenova, Oyuna; Batoev, Valeriy; Batoeva, Agniya

2015-01-01

The review explores the feasibility of simultaneous removal of pathogens and chemical pollutants by solar-enhanced advanced oxidation processes (AOPs). The AOPs are based on in-situ generation of reactive oxygen species (ROS), most notably hydroxyl radicals •OH, that are capable of destroying both pollutant molecules and pathogen cells. The review presents evidence of simultaneous removal of pathogens and chemical pollutants by photocatalytic processes, namely TiO2 photocatalysis and photo-Fenton. Complex water matrices with high loads of pathogens and chemical pollutants negatively affect the efficiency of disinfection and pollutant removal. This is due to competition between chemical substances and pathogens for generated ROS. Other possible negative effects include light screening, competitive photon absorption, adsorption on the catalyst surface (thereby inhibiting its photocatalytic activity), etc. Besides, some matrix components may serve as nutrients for pathogens, thus hindering the disinfection process. Each type of water/wastewater would require a tailor-made approach and the variables that were shown to influence the processes—catalyst/oxidant concentrations, incident radiation flux, and pH—need to be adjusted in order to achieve the required degree of pollutant and pathogen removal. Overall, the solar-enhanced AOPs hold promise as an environmentally-friendly way to substitute or supplement conventional water/wastewater treatment, particularly in areas without access to centralized drinking water or sewage/wastewater treatment facilities. PMID:26287222

From minerals to hillslopes: Towards an integrated framework for interpreting chemical and physical erosion

NASA Astrophysics Data System (ADS)

Hahm, W.; Riebe, C. S.; Ferrier, K.; Kirchner, J. W.

2011-12-01

Traditional frameworks for conceptualizing hillslope denudation distinguish between the movement of mass in solution (chemical erosion) and mass moved via mechanical processes (physical erosion). At the hillslope scale, physical and chemical erosion rates can be quantified by combining measurements of regolith chemistry with cosmogenic nuclide concentrations in bedrock and sediment, while basin-scale rates are often inferred from riverine solute and sediment loads. These techniques integrate the effects of numerous weathering and erosion mechanisms and do not provide prima facie information about the precise nature and scale of those mechanisms. For insight into erosional process, physical erosion has been considered in terms of two limiting regimes. When physical erosion outpaces weathering front advance, regolith is mobilized downslope as soon as it is sufficiently loosened by weathering, and physical erosion rates are limited by rates of mobile regolith production. This is commonly termed weathering-limited erosion. Conversely, when weathering front advance outpaces erosion, the mobile regolith layer grows thicker over time, and physical erosion rates are limited by the efficiency of downslope transport processes. This is termed transport-limited erosion. This terminology brings the description of hillslope evolution closer to the realm of essential realism, to the extent that measurable quantities from the field can be cast in a process-based framework. An analogous process-limitation framework describes chemical erosion. In supply-limited chemical erosion, chemical weathering depletes regolith of its reactive phases during residence on a hillslope, and chemical erosion rates are limited by the supply of fresh minerals to the weathering zone. Alternatively, hillslopes may exhibit kinetic-limited chemical erosion, where physical erosion transports regolith downslope before weatherable phases are completely removed by chemical erosion. We show how supply- and kinetic-limited chemical erosion can be distinguished from one another using data from a global compilation of physical and chemical erosion rates. As a step towards understanding these rates at the level of essential realism, we explore how the hillslope-scale regimes of supply- and kinetic-limited chemical erosion relate to existing conceptual frameworks that interpret weathering rates in terms of transport- and kinetic-limitation at the mineral scale.

Catalytic Upgrading of Thermochemical Intermediates to Hydrocarbons: Conversion of Lignocellulosic Feedstocks to Aromatic Fuels and High Value Chemicals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cortright, Randy; Rozmiarek, Bob; Van Straten, Matt

The principal objective of this project was to develop a fully integrated catalytic process that efficiently converts lignocellulosic feedstocks (e.g. bagasse, corn stover, and loblolly pine) into aromatic-rich fuels and chemicals. Virent led this effort with key feedstock support from Iowa State University. Within this project, Virent leveraged knowledge of catalytic processing of sugars and biomass to investigate two liquefaction technologies (Reductive Catalytic Liquefaction (USA Patent No. 9,212,320, 2015) and Solvolysis (USA Patent No. 9,157,030, 2015) (USA Patent No. 9,157,031, 2015)) that take advantage of proprietary catalysts at temperatures less than 300°C in the presence of unique solvent molecules generatedmore » in-situ within the liquefaction processes.« less

Application of response surface methodology (RSM) for optimizing coagulation process of paper recycling wastewater using Ocimum basilicum.

PubMed

Mosaddeghi, Mohammad Reza; Pajoum Shariati, Farshid; Vaziri Yazdi, Seyed Ali; Nabi Bidhendi, Gholamreza

2018-06-21

The wastewater produced in a pulp and paper industry is one of the most polluted industrial wastewaters, and therefore its treatment requires complex processes. One of the simple and feasible processes in pulp and paper wastewater treatment is coagulation and flocculation. Overusing a chemical coagulant can produce a large volume of sludge and increase costs and health concerns. Therefore, the use of natural and plant-based coagulants has been recently attracted the attention of researchers. One of the advantages of using Ocimum basilicum as a coagulant is a reduction in the amount of chemical coagulant required. In this study, the effect of basil mucilage has been investigated as a plant-based coagulant together with alum for treatment of paper recycling wastewater. Response surface methodology (RSM) was used to optimize the process of chemical coagulation based on a central composite rotatable design (CCRD). Quadratic models for colour reduction and TSS removal with coefficients of determination of R 2 >96 were obtained using the analysis of variance. Under optimal conditions, removal efficiencies of colour and total suspended solids (TSS) were 85% and 82%, respectively.

Process Intensification for Cellulosic Biorefineries.

PubMed

Sadula, Sunitha; Athaley, Abhay; Zheng, Weiqing; Ierapetritou, Marianthi; Saha, Basudeb

2017-06-22

Utilization of renewable carbon source, especially non-food biomass is critical to address the climate change and future energy challenge. Current chemical and enzymatic processes for producing cellulosic sugars are multistep, and energy- and water-intensive. Techno-economic analysis (TEA) suggests that upstream lignocellulose processing is a major hurdle to the economic viability of the cellulosic biorefineries. Process intensification, which integrates processes and uses less water and energy, has the potential to overcome the aforementioned challenges. Here, we demonstrate a one-pot depolymerization and saccharification process of woody biomass, energy crops, and agricultural residues to produce soluble sugars with high yields. Lignin is separated as a solid for selective upgrading. Further integration of our upstream process with a reactive extraction step makes energy-efficient separation of sugars in the form of furans. TEA reveals that the process efficiency and integration enable, for the first time, economic production of feed streams that could profoundly improve process economics for downstream cellulosic bioproducts. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Survey of advanced nuclear technologies for potential applications of sonoprocessing.

PubMed

Rubio, Floren; Blandford, Edward D; Bond, Leonard J

2016-09-01

Ultrasonics has been used in many industrial applications for both sensing at low power and processing at higher power. Generally, the high power applications fall within the categories of liquid stream degassing, impurity separation, and sonochemical enhancement of chemical processes. Examples of such industrial applications include metal production, food processing, chemical production, and pharmaceutical production. There are many nuclear process streams that have similar physical and chemical processes to those applications listed above. These nuclear processes could potentially benefit from the use of high-power ultrasonics. There are also potential benefits to applying these techniques in advanced nuclear fuel cycle processes, and these benefits have not been fully investigated. Currently the dominant use of ultrasonic technology in the nuclear industry has been using low power ultrasonics for non-destructive testing/evaluation (NDT/NDE), where it is primarily used for inspections and for characterizing material degradation. Because there has been very little consideration given to how sonoprocessing can potentially improve efficiency and add value to important process streams throughout the nuclear fuel cycle, there are numerous opportunities for improvement in current and future nuclear technologies. In this paper, the relevant fundamental theory underlying sonoprocessing is highlighted, and some potential applications to advanced nuclear technologies throughout the nuclear fuel cycle are discussed. Copyright © 2016 Elsevier B.V. All rights reserved.

Integrated ecotechnology approach towards treatment of complex wastewater with simultaneous bioenergy production.

PubMed

Hemalatha, Manupati; Sravan, J Shanthi; Yeruva, Dileep Kumar; Venkata Mohan, S

2017-10-01

Sequential integration of three stage diverse biological processes was studied by exploiting the individual process advantage towards enhanced treatment of complex chemical based wastewater. A successful attempt to integrate sequence batch reactor (SBR) with bioelectrochemical treatment (BET) and finally with microalgae treatment was studied. The sequential integration has showed individual substrate degradation (COD) of 55% in SBR, 49% in BET and 56% in microalgae, accounting for a consolidated treatment efficiency of 90%. Nitrates removal efficiency of 25% was observed in SBR, 31% in BET and 44% in microalgae, with a total efficiency of 72%. The SBR treated effluents fed to BET with the electrode intervention showed TDS removal. BET exhibited relatively higher process performance than SBR. The integration approach significantly overcame the individual process limitations along with value addition as biomass (1.75g/L), carbohydrates (640mg/g), lipids (15%) and bioelectricity. The study resulted in providing a strategy of combining SBR as pretreatment step to BET process and finally polishing with microalgae cultivation achieving the benefits of enhanced wastewater treatment along with value addition. Copyright © 2017 Elsevier Ltd. All rights reserved.

Flotation of algae for water reuse and biomass production: role of zeta potential and surfactant to separate algal particles.

PubMed

Kwak, Dong-Heui; Kim, Mi-Sug

2015-01-01

The effect of chemical coagulation and biological auto-flocculation relative to zeta potential was examined to compare flotation and sedimentation separation processes for algae harvesting. Experiments revealed that microalgae separation is related to auto-flocculation of Anabaena spp. and requires chemical coagulation for the whole period of microalgae cultivation. In addition, microalgae separation characteristics which are associated with surfactants demonstrated optimal microalgae cultivation time and separation efficiency of dissolved CO2 flotation (DCF) as an alternative to dissolved air flotation (DAF). Microalgae were significantly separated in response to anionic surfactant rather than cationic surfactant as a function of bubble size and zeta potential. DAF and DCF both showed slightly efficient flotation; however, application of anionic surfactant was required when using DCF.

Green engineering education through a U.S. EPA/academia collaboration.

PubMed

Shonnard, David R; Allen, David T; Nguyen, Nhan; Austin, Sharon Weil; Hesketh, Robert

2003-12-01

The need to use resources efficiently and reduce environmental impacts of industrial products and processes is becoming increasingly important in engineering design; therefore, green engineering principles are gaining prominence within engineering education. This paper describes a general framework for incorporating green engineering design principles into engineering curricula, with specific examples for chemical engineering. The framework for teaching green engineering discussed in this paper mirrors the 12 Principles of Green Engineering proposed by Anastas and Zimmerman (Environ. Sci. Technol. 2003, 37, 94A-101A), especially in methods for estimating the hazardous nature of chemicals, strategies for pollution prevention, and approaches leading to efficient energy and material utilization. The key elements in green engineering education, which enlarge the "box" for engineering design, are environmental literacy, environmentally conscious design, and beyond-the-plant boundary considerations.

A computational approach for hypersonic nonequilibrium radiation utilizing space partition algorithm and Gauss quadrature

NASA Astrophysics Data System (ADS)

Shang, J. S.; Andrienko, D. A.; Huang, P. G.; Surzhikov, S. T.

2014-06-01

An efficient computational capability for nonequilibrium radiation simulation via the ray tracing technique has been accomplished. The radiative rate equation is iteratively coupled with the aerodynamic conservation laws including nonequilibrium chemical and chemical-physical kinetic models. The spectral properties along tracing rays are determined by a space partition algorithm of the nearest neighbor search process, and the numerical accuracy is further enhanced by a local resolution refinement using the Gauss-Lobatto polynomial. The interdisciplinary governing equations are solved by an implicit delta formulation through the diminishing residual approach. The axisymmetric radiating flow fields over the reentry RAM-CII probe have been simulated and verified with flight data and previous solutions by traditional methods. A computational efficiency gain nearly forty times is realized over that of the existing simulation procedures.

Dosimetry procedures for an industrial irradiation plant

NASA Astrophysics Data System (ADS)

Grahn, Ch.

Accurate and reliable dosimetry procedures constitute a very important part of process control and quality assurance at a radiation processing plant. γ-Dose measurements were made on the GBS 84 irradiator for food and other products on pallets or in containers. Chemical dosimeters wre exposed in the facility under conditions of the typical plant operation. The choice of the dosimeter systems employed was based on the experience in chemical dosimetry gained over several years. Dose uniformity information was obtained in air, spices, bulbs, feeds, cosmetics, plastics and surgical goods. Most products currently irradiated require dose uniformity which can be efficiently provided by pallet or box irradiators like GBS 84. The radiation performance characteristics and some dosimetry procedures are discussed.

Mass-Spectrometric Studies of Catalytic Chemical Vapor Deposition Processes of Organic Silicon Compounds Containing Nitrogen

NASA Astrophysics Data System (ADS)

Morimoto, Takashi; Ansari, S. G.; Yoneyama, Koji; Nakajima, Teppei; Masuda, Atsushi; Matsumura, Hideki; Nakamura, Megumi; Umemoto, Hironobu

2006-02-01

The mechanism of catalytic chemical vapor deposition (Cat-CVD) processes for hexamethyldisilazane (HMDS) and trisdimethylaminosilane (TDMAS), which are used as source gases to prepare SiNx or SiCxNy films, was studied using three different mass spectrometric techniques: ionization by Li+ ion attachment, vacuum-ultraviolet radiation and electron impact. The results for HMDS show that Si-N bonds dissociate selectively, although Si-C bonds are weaker, and (CH3)3SiNH should be one of the main precursors of deposited films. This decomposition mechanism did not change when NH3 was introduced, but the decomposition efficiency was slightly increased. Similar results were obtained for TDMAS.

Process optimization via response surface methodology in the treatment of metal working industry wastewater with electrocoagulation.

PubMed

Guvenc, Senem Yazici; Okut, Yusuf; Ozak, Mert; Haktanir, Birsu; Bilgili, Mehmet Sinan

2017-02-01

In this study, process parameters in chemical oxygen demand (COD) and turbidity removal from metal working industry (MWI) wastewater were optimized by electrocoagulation (EC) using aluminum, iron and steel electrodes. The effects of process variables on COD and turbidity were investigated by developing a mathematical model using central composite design method, which is one of the response surface methodologies. Variance analysis was conducted to identify the interaction between process variables and model responses and the optimum conditions for the COD and turbidity removal. Second-order regression models were developed via the Statgraphics Centurion XVI.I software program to predict COD and turbidity removal efficiencies. Under the optimum conditions, removal efficiencies obtained from aluminum electrodes were found to be 76.72% for COD and 99.97% for turbidity, while the removal efficiencies obtained from iron electrodes were found to be 76.55% for COD and 99.9% for turbidity and the removal efficiencies obtained from steel electrodes were found to be 65.75% for COD and 99.25% for turbidity. Operational costs at optimum conditions were found to be 4.83, 1.91 and 2.91 €/m 3 for aluminum, iron and steel electrodes, respectively. Iron electrode was found to be more suitable for MWI wastewater treatment in terms of operational cost and treatment efficiency.

Ceramic oxygen transport membrane array reactor and reforming method

DOEpatents

Kelly, Sean M.; Christie, Gervase Maxwell; Robinson, Charles; Wilson, Jamie R; Gonzalez, Javier E.; Doraswami, Uttam R.

2017-10-03

The invention relates to a commercially viable modular ceramic oxygen transport membrane system for utilizing heat generated in reactively-driven oxygen transport membrane tubes to generate steam, heat process fluid and/or provide energy to carry out endothermic chemical reactions. The system provides for improved thermal coupling of oxygen transport membrane tubes to steam generation tubes or process heater tubes or reactor tubes for efficient and effective radiant heat transfer.

Production of activated carbon by using pyrolysis process in an ammonia atmosphere

NASA Astrophysics Data System (ADS)

Indayaningsih, N.; Destyorini, F.; Purawiardi, R. I.; Insiyanda, D. R.; Widodo, H.

2017-04-01

Activated carbon is materials that have wide applications, including supercapacitor materials, absorbent in chemical industry, and absorbent material in the chemical industry. This study has carried out for the manufacturing of activated carbon from inexpensive materials through efficient processes. Carbon material was made from coconut fibers through pyrolysis process at temperature of 650, 700, 750 and 800°C. Aim of this study was to obtain carbon material that has a large surface area. Pyrolysis process is carried out in an inert atmosphere (N2 gas) at a temperature of 450°C for 30 minutes, followed by pyrolysis process in an ammonia atmosphere at 800°C for 2 hours. The pyrolysis results showed that the etching process in ammonia is occurred; as it obtained some greater surface area when compared with the pyrolisis process in an atmosphere by inert gas only. The resulted activated carbon also showed to have good properties in surface area and total pore volume.

Microwave flow and conventional heating effects on the physicochemical properties, bioactive compounds and enzymatic activity of tomato puree.

PubMed

Arjmandi, Mitra; Otón, Mariano; Artés, Francisco; Artés-Hernández, Francisco; Gómez, Perla A; Aguayo, Encarna

2017-02-01

Thermal processing causes a number of undesirable changes in physicochemical and bioactive properties of tomato products. Microwave (MW) technology is an emergent thermal industrial process that offers a rapid and uniform heating, high energy efficiency and high overall quality of the final product. The main quality changes of tomato puree after pasteurization at 96 ± 2 °C for 35 s, provided by a semi-industrial continuous microwave oven (MWP) under different doses (low power/long time to high power/short time) or by conventional method (CP) were studied. All heat treatments reduced colour quality, total antioxidant capacity and vitamin C, with a greater reduction in CP than in MWP. On the other hand, use of an MWP, in particular high power/short time (1900 W/180 s, 2700 W/160 s and 3150 W/150 s) enhanced the viscosity and lycopene extraction and decreased the enzyme residual activity better than with CP samples. For tomato puree, polygalacturonase was the more thermo-resistant enzyme, and could be used as an indicator of pasteurization efficiency. MWP was an excellent pasteurization technique that provided tomato puree with improved nutritional quality, reducing process times compared to the standard pasteurization process. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Microwave-assisted maleation of tung oil for bio-based products with versatile applications

USDA-ARS?s Scientific Manuscript database

In this work, a simple, “green” and convenient chemical modification of tung oil for maleinized tung oil (TOMA) was developed via microwave-assisted one-step maleation. This modifying process did not involve any solvent, catalyst, or initiator, but demonstrated the most efficiency of functionalizing...

Comparative sensitivity of human and rat neural cultures to chemical-induced inhibition of neurite outgrowth

EPA Science Inventory

There is a need for rapid, efficient and cost effective alternatives to traditional in vivo developmental neurotoxicity testing. In vitro cell culture models can recapitulate many of the key cellular processes of nervous system development, including neurite outgrowth, and may be...

ASSESSMENT OF CHEMICAL EFFECTS ON NEURITE OUTGROWTH, NEURONAL POLARIZATION AND SYNAPTOGENESIS IN RAT CORTICAL NEURONS USING HIGH CONTENT IMAGE ANALYSIS

EPA Science Inventory

There is a need for efficient, cost-effective methods for screening and prioritization of potential developmental neurotoxicants. One approach uses in vitro cell culture models that can recapitulate the critical processes of nervous system development. In vitro, primary cultures ...

IN VITRO SCREENING OF DEVELOPMENTAL NEUROTOXICANTS IN RAT PRIMARY CORTICAL NEURONS USING HIGH CONTENT IMAGE

EPA Science Inventory

There is a need for more efficient and cost-effective methods for identifying, characterizing and prioritizing chemicals which may result in developmental neurotoxicity. One approach is to utilize in vitro test systems which recapitulate the critical processes of nervous system d...

Silicon-Based Chemical Motors: An Efficient Pump for Triggering and Guiding Fluid Motion Using Visible Light.

PubMed

Esplandiu, Maria J; Farniya, Ali Afshar; Bachtold, Adrian

2015-11-24

We report a simple yet highly efficient chemical motor that can be controlled with visible light. The motor made from a noble metal and doped silicon acts as a pump, which is driven through a light-activated catalytic reaction process. We show that the actuation is based on electro-osmosis with the electric field generated by chemical reactions at the metal and silicon surfaces, whereas the contribution of diffusio-osmosis to the actuation is negligible. Surprisingly, the pump can be operated using water as fuel. This is possible because of the large ζ-potential of silicon, which makes the electro-osmotic fluid motion sizable even though the electric field generated by the reaction is weak. The electro-hydrodynamic process is greatly amplified with the addition of reactive species, such as hydrogen peroxide, which generates higher electric fields. Another remarkable finding is the tunability of silicon-based pumps. That is, it is possible to control the speed of the fluid with light. We take advantage of this property to manipulate the spatial distribution of colloidal microparticles in the liquid and to pattern colloidal microparticle structures at specific locations on a wafer surface. Silicon-based pumps hold great promise for controlled mass transport in fluids.

Exploitation of Trametes versicolor for bioremediation of endocrine disrupting chemicals in bioreactors

PubMed Central

Sannia, Giovanni; Raganati, Francesca; Olivieri, Giuseppe; Marzocchella, Antonio; Schlosser, Dietmar

2017-01-01

Endocrine disrupting chemicals (EDCs) are environmental contaminants causing increasing concerns due to their toxicity, persistence and ubiquity. In the present study, degradative capabilities of Trametes versicolor, Pleurotus ostreatus and Phanerochaete chrysosporium to act on five EDCs, which represent different classes of chemicals (phenols, parabens and phthalate) and were first applied as single compounds, were assessed. T. versicolor was selected due to its efficiency against target EDCs and its potentialities were exploited against a mixture of EDCs in a cost-effective bioremediation process. A fed-batch approach as well as a starvation strategy were applied in order to reduce the need for input of ‘fresh’ biomass, and avoid the requirement for external nutrients. The fungus was successfully operated in two different bioreactors over one week. Semi-batch cultures were carried out by daily adding a mixture of EDCs to the bioreactors in a total of five consecutive degradation cycles. T. versicolor was able to efficiently remove all compounds during each cycle converting up to 21 mg L-1 day-1 of the tested EDCs. The maintained ability of T. versicolor to remove EDCs without any additional nutrients represents the main outcome of this study, which enables to forecast its application in a water treatment process. PMID:28575092

Chemical and microstructural analyses for heavy metals removal from water media by ceramic membrane filtration.

PubMed

Ali, Asmaa; Ahmed, Abdelkader; Gad, Ali

2017-01-01

This study aims to investigate the ability of low cost ceramic membrane filtration in removing three common heavy metals namely; Pb 2+ , Cu 2+ , and Cd 2+ from water media. The work includes manufacturing ceramic membranes with dimensions of 15 by 15 cm and 2 cm thickness. The membranes were made from low cost materials of local clay mixed with different sawdust percentages of 0.5%, 2.0%, and 5.0%. The used clay was characterized by X-ray diffraction (XRD) and X-ray fluorescence analysis. Aqueous solutions of heavy metals were prepared in the laboratory and filtered through the ceramic membranes. The influence of the main parameters such as pH, initial driving pressure head, and concentration of heavy metals on their removal efficiency by ceramic membranes was investigated. Water samples were collected before and after the filtration process and their heavy metal concentrations were determined by chemical analysis. Moreover, a microstructural analysis using scanning electronic microscope (SEM) was performed on ceramic membranes before and after the filtration process. The chemical analysis results showed high removal efficiency up to 99% for the concerned heavy metals. SEM images approved these results by showing adsorbed metal ions on sides of the internal pores of the ceramic membranes.

Exploitation of Trametes versicolor for bioremediation of endocrine disrupting chemicals in bioreactors.

PubMed

Pezzella, Cinzia; Macellaro, Gemma; Sannia, Giovanni; Raganati, Francesca; Olivieri, Giuseppe; Marzocchella, Antonio; Schlosser, Dietmar; Piscitelli, Alessandra

2017-01-01

Endocrine disrupting chemicals (EDCs) are environmental contaminants causing increasing concerns due to their toxicity, persistence and ubiquity. In the present study, degradative capabilities of Trametes versicolor, Pleurotus ostreatus and Phanerochaete chrysosporium to act on five EDCs, which represent different classes of chemicals (phenols, parabens and phthalate) and were first applied as single compounds, were assessed. T. versicolor was selected due to its efficiency against target EDCs and its potentialities were exploited against a mixture of EDCs in a cost-effective bioremediation process. A fed-batch approach as well as a starvation strategy were applied in order to reduce the need for input of 'fresh' biomass, and avoid the requirement for external nutrients. The fungus was successfully operated in two different bioreactors over one week. Semi-batch cultures were carried out by daily adding a mixture of EDCs to the bioreactors in a total of five consecutive degradation cycles. T. versicolor was able to efficiently remove all compounds during each cycle converting up to 21 mg L-1 day-1 of the tested EDCs. The maintained ability of T. versicolor to remove EDCs without any additional nutrients represents the main outcome of this study, which enables to forecast its application in a water treatment process.

Crystal Engineering for Low Defect Density and High Efficiency Hybrid Chemical Vapor Deposition Grown Perovskite Solar Cells.

PubMed

Ng, Annie; Ren, Zhiwei; Shen, Qian; Cheung, Sin Hang; Gokkaya, Huseyin Cem; So, Shu Kong; Djurišić, Aleksandra B; Wan, Yangyang; Wu, Xiaojun; Surya, Charles

2016-12-07

Synthesis of high quality perovskite absorber is a key factor in determining the performance of the solar cells. We demonstrate that hybrid chemical vapor deposition (HCVD) growth technique can provide high level of versatility and repeatability to ensure the optimal conditions for the growth of the perovskite films as well as potential for batch processing. It is found that the growth ambient and degree of crystallization of CH 3 NH 3 PbI 3 (MAPI) have strong impact on the defect density of MAPI. We demonstrate that HCVD process with slow postdeposition cooling rate can significantly reduce the density of shallow and deep traps in the MAPI due to enhanced material crystallization, while a mixed O 2 /N 2 carrier gas is effective in passivating both shallow and deep traps. By careful control of the perovskite growth process, a champion device with power conversion efficiency of 17.6% is achieved. Our work complements the existing theoretical studies on different types of trap states in MAPI and fills the gap on the theoretical analysis of the interaction between deep levels and oxygen. The experimental results are consistent with the theoretical predictions.

Deposition of tungsten metal by an immersion process

DOE PAGES

Small, Leo J.; Brumbach, Michael T.; Clem, Paul G.; ...

2017-03-23

A new multi-step, solution-phase method for the spontaneous deposition of tungsten from a room temperature ethereal solution is reported. This immersion process relies on the deposition of a sacrificial zinc coating which is galvanically displaced by the ether-mediated reduction of oxophilic WCl 6. Subsequent thermal treatment renders a crystalline, metallic tungsten film. The chemical evolution of the surface and formation of a complex intermediate tungsten species is characterized by X-ray diffraction, infrared spectroscopy, and X-ray photoelectron spectroscopy. Efficient metallic tungsten deposition is first characterized on a graphite substrate and then demonstrated on a functional carbon foam electrode. The resulting electrochemicalmore » performance of the modified electrode is interrogated with the canonical aqueous ferricyanide system. A tungsten-coated carbon foam electrode showed that both electrode resistance and overall electrochemical cell resistance were reduced by 50%, resulting in a concomitant decrease in redox peak separation from 1.902 V to 0.783 V. Furthermore, this process promises voltage efficiency gains in electrodes for energy storage technologies and demonstrates the viability of a new route to tungsten coating for technologies and industries where high conductivity and chemical stability are paramount.« less

A benchmarking method to measure dietary absorption efficiency of chemicals by fish.

PubMed

Xiao, Ruiyang; Adolfsson-Erici, Margaretha; Åkerman, Gun; McLachlan, Michael S; MacLeod, Matthew

2013-12-01

Understanding the dietary absorption efficiency of chemicals in the gastrointestinal tract of fish is important from both a scientific and a regulatory point of view. However, reported fish absorption efficiencies for well-studied chemicals are highly variable. In the present study, the authors developed and exploited an internal chemical benchmarking method that has the potential to reduce uncertainty and variability and, thus, to improve the precision of measurements of fish absorption efficiency. The authors applied the benchmarking method to measure the gross absorption efficiency for 15 chemicals with a wide range of physicochemical properties and structures. They selected 2,2',5,6'-tetrachlorobiphenyl (PCB53) and decabromodiphenyl ethane as absorbable and nonabsorbable benchmarks, respectively. Quantities of chemicals determined in fish were benchmarked to the fraction of PCB53 recovered in fish, and quantities of chemicals determined in feces were benchmarked to the fraction of decabromodiphenyl ethane recovered in feces. The performance of the benchmarking procedure was evaluated based on the recovery of the test chemicals and precision of absorption efficiency from repeated tests. Benchmarking did not improve the precision of the measurements; after benchmarking, however, the median recovery for 15 chemicals was 106%, and variability of recoveries was reduced compared with before benchmarking, suggesting that benchmarking could account for incomplete extraction of chemical in fish and incomplete collection of feces from different tests. © 2013 SETAC.

Spatial Patterns in the Efficiency of the Biological Pump: What Controls Export Ratios at the Global Scale?

NASA Astrophysics Data System (ADS)

Moore, J. K.

2016-02-01

The efficiency of the biological pump is influenced by complex interactions between chemical, biological, and physical processes. The efficiency of export out of surface waters and down through the water column to the deep ocean has been linked to a number of factors including biota community composition, production of mineral ballast components, physical aggregation and disaggregation processes, and ocean oxygen concentrations. I will examine spatial patterns in the export ratio and the efficiency of the biological pump at the global scale using the Community Earth System Model (CESM). There are strong spatial variations in the export efficiency as simulated by the CESM, which are strongly correlated with new nutrient inputs to the euphotic zone and their impacts on phytoplankton community structure. I will compare CESM simulations that include dynamic, variable export ratios driven by the phytoplankton community structure, with simulations that impose a near-constant export ratio to examine the effects of export efficiency on nutrient and surface chlorophyll distributions. The model predicted export ratios will also be compared with recent satellite-based estimates.

Role of modern chemistry in sustainable arable crop protection.

PubMed

Smith, Keith; Evans, David A; El-Hiti, Gamal A

2008-02-12

Organic chemistry has been, and for the foreseeable future will remain, vitally important for crop protection. Control of fungal pathogens, insect pests and weeds is crucial to enhanced food provision. As world population continues to grow, it is timely to assess the current situation, anticipate future challenges and consider how new chemistry may help meet those challenges. In future, agriculture will increasingly be expected to provide not only food and feed, but also crops for conversion into renewable fuels and chemical feedstocks. This will further increase the demand for higher crop yields per unit area, requiring chemicals used in crop production to be even more sophisticated. In order to contribute to programmes of integrated crop management, there is a requirement for chemicals to display high specificity, demonstrate benign environmental and toxicological profiles, and be biodegradable. It will also be necessary to improve production of those chemicals, because waste generated by the production process mitigates the overall benefit. Three aspects are considered in this review: advances in the discovery process for new molecules for sustainable crop protection, including tests for environmental and toxicological properties as well as biological activity; advances in synthetic chemistry that may offer efficient and environmentally benign manufacturing processes for modern crop protection chemicals; and issues related to energy use and production through agriculture.

Methanol from CO2 by organo-cocatalysis: CO2 capture and hydrogenation in one process step.

PubMed

Reller, Christian; Pöge, Matthias; Lißner, Andreas; Mertens, Florian O R L

2014-12-16

Carbon dioxide chemically bound to alcohol-amines was hydrogenated to methanol under retrieval of these industrially used CO2 capturing reagents. The energetics of the process can be seen as a partial cancellation of the exothermic heat of reaction of the hydrogenation with the endothermic one of the CO2 release from the capturing reagent. The process provides a means to significantly improve the energy efficiency of CO2 to methanol conversions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

King, Paul W; Chen, Jingguang G.; Crooks, Richard M.

Nitrogen is fundamental to all of life and many industrial processes. The interchange of nitrogen oxidation states in the industrial production of ammonia, nitric acid, and other commodity chemicals is largely powered by fossil fuels. A key goal of contemporary research in the field of nitrogen chemistry is to minimize the use of fossil fuels by developing more efficient heterogeneous, homogeneous, photo-, and electrocatalytic processes or by adapting the enzymatic processes underlying the natural nitrogen cycle. These approaches, as well as the challenges involved, are discussed in this Review.

A modified indirect mathematical model for evaluation of ethanol production efficiency in industrial-scale continuous fermentation processes.

PubMed

Canseco Grellet, M A; Castagnaro, A; Dantur, K I; De Boeck, G; Ahmed, P M; Cárdenas, G J; Welin, B; Ruiz, R M

2016-10-01

To calculate fermentation efficiency in a continuous ethanol production process, we aimed to develop a robust mathematical method based on the analysis of metabolic by-product formation. This method is in contrast to the traditional way of calculating ethanol fermentation efficiency, where the ratio between the ethanol produced and the sugar consumed is expressed as a percentage of the theoretical conversion yield. Comparison between the two methods, at industrial scale and in sensitivity studies, showed that the indirect method was more robust and gave slightly higher fermentation efficiency values, although fermentation efficiency of the industrial process was found to be low (~75%). The traditional calculation method is simpler than the indirect method as it only requires a few chemical determinations in samples collected. However, a minor error in any measured parameter will have an important impact on the calculated efficiency. In contrast, the indirect method of calculation requires a greater number of determinations but is much more robust since an error in any parameter will only have a minor effect on the fermentation efficiency value. The application of the indirect calculation methodology in order to evaluate the real situation of the process and to reach an optimum fermentation yield for an industrial-scale ethanol production is recommended. Once a high fermentation yield has been reached the traditional method should be used to maintain the control of the process. Upon detection of lower yields in an optimized process the indirect method should be employed as it permits a more accurate diagnosis of causes of yield losses in order to correct the problem rapidly. The low fermentation efficiency obtained in this study shows an urgent need for industrial process optimization where the indirect calculation methodology will be an important tool to determine process losses. © 2016 The Society for Applied Microbiology.

The effect of sanitary landfill leachate aging on the biological treatment and assessment of photoelectrooxidation as a pre-treatment process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Müller, Gabriel Timm; Giacobbo, Alexandre; Santos Chiaramonte, Edson Abel dos

Highlights: • Photoelectrooxidation (PEO) emerges as a new technology for leachate treatment. • Aging of sanitary landfills acts on leachate composition and biodegradability. • PEO is applied as leachate pretreatment before the biological processes. • PEO produced significant changes in the leachate matrix, easing biological process. - Abstract: The sanitary landfill leachate is a dark liquid, of highly variable composition, with recalcitrant features that hamper conventional biological treatment. The physical–chemical characteristics of the leachate along the landfill aging, as well as their effects on the efficiency of the conventional treatment, were evaluated at this paper. The feasibility of photoelectrooxidation processmore » as an alternative technique for treatment of landfill leachates was also determined. Photoelectrooxidation experiments were conducted in a bench-scale reactor. Analysis of the raw leachate revealed many critical parameters demonstrating that the recalcitrance of leachate tends to increase with time, directly influencing the decline in efficiency of the conventional treatment currently employed. The effects of current density and lamp power were investigated. Using a 400 W power lamp and a current density of 31.5 mA cm{sup −2}, 53% and 61% efficiency for the removal of ammoniacal nitrogen and chemical oxygen demand were respectively achieved by applying photoelectrooxidation process. With the removal of these pollutants, downstream biological treatment should be improved. These results demonstrate that photoelectrooxidation is a feasible technique for the treatment of sanitary landfill leachate, even considering this effluent’s high resistance to treatment.« less

A series of simple oligomer-like small molecules based on oligothiophenes for solution-processed solar cells with high efficiency.

PubMed

Kan, Bin; Li, Miaomiao; Zhang, Qian; Liu, Feng; Wan, Xiangjian; Wang, Yunchuang; Ni, Wang; Long, Guankui; Yang, Xuan; Feng, Huanran; Zuo, Yi; Zhang, Mingtao; Huang, Fei; Cao, Yong; Russell, Thomas P; Chen, Yongsheng

2015-03-25

A series of acceptor-donor-acceptor simple oligomer-like small molecules based on oligothiophenes, namely, DRCN4T-DRCN9T, were designed and synthesized. Their optical, electrical, and thermal properties and photovoltaic performances were systematically investigated. Except for DRCN4T, excellent performances were obtained for DRCN5T-DRCN9T. The devices based on DRCN5T, DRCN7T, and DRCN9T with axisymmetric chemical structures exhibit much higher short-circuit current densities than those based on DRCN6T and DRCN8T with centrosymmetric chemical structures, which is attributed to their well-developed fibrillar network with a feature size less than 20 nm. The devices based on DRCN5T/PC71BM showed a notable certified power conversion efficiency (PCE) of 10.10% under AM 1.5G irradiation (100 mW cm(-2)) using a simple solution spin-coating fabrication process. This is the highest PCE for single-junction small-molecule-based organic photovoltaics (OPVs) reported to date. DRCN5T is a rather simpler molecule compared with all of the other high-performance molecules in OPVs to date, and this might highlight its advantage in the future possible commercialization of OPVs. These results demonstrate that a fine and balanced modification/design of chemical structure can make significant performance differences and that the performance of solution-processed small-molecule-based solar cells can be comparable to or even surpass that of their polymer counterparts.

Highly efficient and autocatalytic H2₂ dissociation for CO₂ reduction into formic acid with zinc.

PubMed

Jin, Fangming; Zeng, Xu; Liu, Jianke; Jin, Yujia; Wang, Lunying; Zhong, Heng; Yao, Guodong; Huo, Zhibao

2014-03-28

Artificial photosynthesis, specifically H2O dissociation for CO2 reduction with solar energy, is regarded as one of the most promising methods for sustainable energy and utilisation of environmental resources. However, a highly efficient conversion still remains extremely challenging. The hydrogenation of CO2 is regarded as the most commercially feasible method, but this method requires either exotic catalysts or high-purity hydrogen and hydrogen storage, which are regarded as an energy-intensive process. Here we report a highly efficient method of H2O dissociation for reducing CO2 into chemicals with Zn powder that produces formic acid with a high yield of approximately 80%, and this reaction is revealed for the first time as an autocatalytic process in which an active intermediate, ZnH(-) complex, serves as the active hydrogen. The proposed process can assist in developing a new concept for improving artificial photosynthetic efficiency by coupling geochemistry, specifically the metal-based reduction of H2O and CO2, with solar-driven thermochemistry for reducing metal oxide into metal.

Highly efficient and autocatalytic H2O dissociation for CO2 reduction into formic acid with zinc

PubMed Central

Jin, Fangming; Zeng, Xu; Liu, Jianke; Jin, Yujia; Wang, Lunying; Zhong, Heng; Yao, Guodong; Huo, Zhibao

2014-01-01

Artificial photosynthesis, specifically H2O dissociation for CO2 reduction with solar energy, is regarded as one of the most promising methods for sustainable energy and utilisation of environmental resources. However, a highly efficient conversion still remains extremely challenging. The hydrogenation of CO2 is regarded as the most commercially feasible method, but this method requires either exotic catalysts or high-purity hydrogen and hydrogen storage, which are regarded as an energy-intensive process. Here we report a highly efficient method of H2O dissociation for reducing CO2 into chemicals with Zn powder that produces formic acid with a high yield of approximately 80%, and this reaction is revealed for the first time as an autocatalytic process in which an active intermediate, ZnH− complex, serves as the active hydrogen. The proposed process can assist in developing a new concept for improving artificial photosynthetic efficiency by coupling geochemistry, specifically the metal-based reduction of H2O and CO2, with solar-driven thermochemistry for reducing metal oxide into metal. PMID:24675820

Process in manufacturing high efficiency AlGaAs/GaAs solar cells by MO-CVD

NASA Technical Reports Server (NTRS)

Yeh, Y. C. M.; Chang, K. I.; Tandon, J.

1984-01-01

Manufacturing technology for mass producing high efficiency GaAs solar cells is discussed. A progress using a high throughput MO-CVD reactor to produce high efficiency GaAs solar cells is discussed. Thickness and doping concentration uniformity of metal oxide chemical vapor deposition (MO-CVD) GaAs and AlGaAs layer growth are discussed. In addition, new tooling designs are given which increase the throughput of solar cell processing. To date, 2cm x 2cm AlGaAs/GaAs solar cells with efficiency up to 16.5% were produced. In order to meet throughput goals for mass producing GaAs solar cells, a large MO-CVD system (Cambridge Instrument Model MR-200) with a susceptor which was initially capable of processing 20 wafers (up to 75 mm diameter) during a single growth run was installed. In the MR-200, the sequencing of the gases and the heating power are controlled by a microprocessor-based programmable control console. Hence, operator errors can be reduced, leading to a more reproducible production sequence.

Generation of ROS mediated by mechanical waves (ultrasound) and its possible applications.

PubMed

Duco, Walter; Grosso, Viviana; Zaccari, Daniel; Soltermann, Arnaldo T

2016-10-15

The thermal decomposition of 9,10 diphenylanthracene peroxide (DPAO 2 ) generates DPA and a mix of triplet and singlet molecular oxygen. For DPAO 2 the efficiency to produce singlet molecular oxygen is 0.35. On the other hand, it has shown that many thermal reactions can be carried out through the interaction of molecules with ultrasound. Ultrasound irradiation can create hydrodynamic stress (sonomechanical process), inertial cavitation (pyrolitic process) and long range effects mediated by radicals or ROS. Sonochemical reactions can be originated by pyrolytic like process, shock mechanical waves, thermal reactions and radical and ROS mediated reactions. Sonolysis of pure water can yield hydrogen or hydroxyl radicals and hydrogen peroxide (ROS). When DPAO 2 in 1,4 dioxane solution is treated with 20 or 24kHz and different power intensity the production of molecular singlet oxygen is observed. Specific scavengers like tetracyclone (TC) are used to demonstrate it. The efficiency now is 0.85 showing that the sonochemical process is much more efficient that the thermal one. Another endoperoxide, artemisinin was also studied. Unlike the concept of photosensitizer of photodynamic therapy, in spite of large amount of reported results in literature, the term sonosensitizer and the sonosensitization process are not well defined. We define sonosensitized reaction as one in which a chemical species decompose as consequence of cavitation phenomena producing ROS or other radicals and some other target species does undergo a chemical reaction. The concept could be reach rapidly other peroxides which are now under experimental studies. For artemisinin, an important antimalarian and anticancer drug, was established that ultrasound irradiation increases the effectiveness of the treatment but without any explanation. We show that artemisinin is an endoperoxide and behaves as a sonosensitizer in the sense of our definition. Copyright © 2016 Elsevier Inc. All rights reserved.

Mapping Global Flows of Chemicals: From Fossil Fuel Feedstocks to Chemical Products.

PubMed

Levi, Peter G; Cullen, Jonathan M

2018-02-20

Chemical products are ubiquitous in modern society. The chemical sector is the largest industrial energy consumer and the third largest industrial emitter of carbon dioxide. The current portfolio of mitigation options for the chemical sector emphasizes upstream "supply side" solutions, whereas downstream mitigation options, such as material efficiency, are given comparatively short shrift. Key reasons for this are the scarcity of data on the sector's material flows, and the highly intertwined nature of its complex supply chains. We provide the most up to date, comprehensive and transparent data set available publicly, on virgin production routes in the chemical sector: from fossil fuel feedstocks to chemical products. We map global mass flows for the year 2013 through a complex network of transformation processes, and by taking account of secondary reactants and by-products, we maintain a full mass balance throughout. The resulting data set partially addresses the dearth of publicly available information on the chemical sector's supply chain, and can be used to prioritise downstream mitigation options.

Simultaneous and rapid determination of multiple component concentrations in a Kraft liquor process stream

DOEpatents

Li, Jian [Marietta, GA; Chai, Xin Sheng [Atlanta, GA; Zhu, Junyoung [Marietta, GA

2008-06-24

The present invention is a rapid method of determining the concentration of the major components in a chemical stream. The present invention is also a simple, low cost, device of determining the in-situ concentration of the major components in a chemical stream. In particular, the present invention provides a useful method for simultaneously determining the concentrations of sodium hydroxide, sodium sulfide and sodium carbonate in aqueous kraft pulping liquors through use of an attenuated total reflectance (ATR) tunnel flow cell or optical probe capable of producing a ultraviolet absorbency spectrum over a wavelength of 190 to 300 nm. In addition, the present invention eliminates the need for manual sampling and dilution previously required to generate analyzable samples. The inventive method can be used in Kraft pulping operations to control white liquor causticizing efficiency, sulfate reduction efficiency in green liquor, oxidation efficiency for oxidized white liquor and the active and effective alkali charge to kraft pulping operations.

Lunar surface base propulsion system study, volume 1

NASA Technical Reports Server (NTRS)

1987-01-01

The efficiency, capability, and evolution of a lunar base will be largely dependent on the transportation system that supports it. Beyond Space Station in low Earth orbit (LEO), a Lunar-derived propellant supply could provide the most important resource for the transportation infrastructure. The key to an efficient Lunar base propulsion system is the degree of Lunar self-sufficiency (from Earth supply) and reasonable propulsion system performance. Lunar surface propellant production requirements must be accounted in the measurement of efficiency of the entire space transportation system. Of all chemical propellant/propulsion systems considered, hydrogen/oxygen (H/O) OTVs appear most desirable, while both H/O and aluminum/oxygen propulsion systems may be considered for the lander. Aluminized-hydrogen/oxygen and Silane/oxygen propulsion systems are also promising candidates. Lunar propellant availability and processing techniques, chemical propulsion/vehicle design characteristics, and the associated performance of the total transportation infrastructure are reviewed, conceptual propulsion system designs and vehicle/basing concepts, and technology requirements are assessed in context of a Lunar Base mission scenario.

The efficiency of quartz addition on electric arc furnace (EAF) carbon steel slag stability.

PubMed

Mombelli, D; Mapelli, C; Barella, S; Gruttadauria, A; Le Saout, G; Garcia-Diaz, E

2014-08-30

Electric arc furnace slag (EAF) has the potential to be re-utilized as an alternative to stone material, however, only if it remains chemically stable on contact with water. The presence of hydraulic phases such as larnite (2CaO SiO2) could cause dangerous elements to be released into the environment, i.e. Ba, V, Cr. Chemical treatment appears to be the only way to guarantee a completely stable structure, especially for long-term applications. This study presents the efficiency of silica addition during the deslagging period. Microstructural characterization of modified slag was performed by SEM and XRD analysis. Elution tests were performed according to the EN 12457-2 standard, with the addition of silica and without, and the obtained results were compared. These results demonstrate the efficiency of the inertization process: the added silica induces the formation of gehlenite, which, even in caustic environments, does not exhibit hydraulic behaviour. Copyright © 2014 Elsevier B.V. All rights reserved.

The U.S. experience in promoting sustainable chemistry.

PubMed

Tickner, Joel A; Geiser, Ken; Coffin, Melissa

2005-01-01

Recent developments in European chemicals policy, including the Registration, Evaluation and Authorization of Chemicals (REACH) proposal, provide a unique opportunity to examine the U.S. experience in promoting sustainable chemistry as well as the strengths and weaknesses of existing policies. Indeed, the problems of industrial chemicals and limitations in current regulatory approaches to address chemical risks are strikingly similar on both sides of the Atlantic. We provide an overview of the U.S. regulatory system for chemicals management and its relationship to efforts promoting sustainable chemistry. We examine federal and state initiatives and examine lessons learned from this system that can be applied to developing more integrated, sustainable approaches to chemicals management. There is truly no one U.S. chemicals policy, but rather a series of different un-integrated policies at the federal, regional, state and local levels. While centerpiece U.S. Chemicals Policy, the Toxic Substances Control Act of 1976, has resulted in the development of a comprehensive, efficient rapid screening process for new chemicals, agency action to manage existing chemicals has been very limited. The agency, however, has engaged in a number of successful, though highly underfunded, voluntary data collection, pollution prevention, and sustainable design programs that have been important motivators for sustainable chemistry. Policy innovation in the establishment of numerous state level initiatives on persistent and bioaccumulative toxics, chemical restrictions and toxics use reduction have resulted in pressure on the federal government to augment its efforts. It is clear that data collection on chemical risks and phase-outs of the most egregious chemicals alone will not achieve the goals of sustainable chemistry. These alone will also not internalize the cultural and institutional changes needed to ensure that design and implementation of safer chemicals, processes, and products are the focus of the future. Thus, a more holistic approach of 'carrots and sticks'--that involves not just chemical producers but those who use and purchase chemicals is necessary. Some important lessons of the US experience in chemicals management include: (1) the need for good information on chemicals flows, toxic risks, and safer substances.; (2) the need for comprehensive planning processes for chemical substitution and reduction to avoid risk trade-offs and ensure product quality; (3) the need for technical and research support to firms for innovation in safer chemistry; and (4) the need for rapid screening processes and tools for comparison of alternative chemicals, materials, and products.

Identifying Chemical Groups for Biomonitoring

PubMed Central

Krowech, Gail; Hoover, Sara; Plummer, Laurel; Sandy, Martha; Zeise, Lauren; Solomon, Gina

2016-01-01

Summary: Regulatory agencies face daunting challenges identifying emerging chemical hazards because of the large number of chemicals in commerce and limited data on exposure and toxicology. Evaluating one chemical at a time is inefficient and can lead to replacement with uncharacterized chemicals or chemicals with structural features already linked to toxicity. The Office of Environmental Health Hazard Assessment (OEHHA) has developed a process for constructing and assessing chemical groups for potential biomonitoring in California. We screen for chemicals with significant exposure potential and propose possible chemical groups, based on structure and function. To support formal consideration of these groups by Biomonitoring California’s Scientific Guidance Panel, we conduct a detailed review of exposure and toxicity data and examine the likelihood of detection in biological samples. To date, 12 chemical groups have been constructed and added to the pool of chemicals that can be selected for Biomonitoring California studies, including p,p´-bisphenols, brominated and chlorinated organic compounds used as flame retardants, non-halogenated aromatic phosphates, and synthetic polycyclic musks. Evaluating chemical groups, rather than individual chemicals, is an efficient way to respond to shifts in chemical use and the emergence of new chemicals. This strategy can enable earlier identification of important chemicals for monitoring and intervention. PMID:27905275

Recent advances in the production of value added chemicals and lipids utilizing biodiesel industry generated crude glycerol as a substrate - Metabolic aspects, challenges and possibilities: An overview.

PubMed

Vivek, Narisetty; Sindhu, Raveendran; Madhavan, Aravind; Anju, Alphonsa Jose; Castro, Eulogio; Faraco, Vincenza; Pandey, Ashok; Binod, Parameswaran

2017-09-01

One of the major ecological concerns associated with biodiesel production is the generation of waste/crude glycerol during the trans-esterification process. Purification of this crude glycerol is not economically viable. In this context, the development of an efficient and economically viable strategy would be biotransformation reactions converting the biodiesel derived crude glycerol into value added chemicals. Hence the process ensures the sustainability and waste management in biodiesel industry, paving a path to integrated biorefineries. This review addresses a waste to wealth approach for utilization of crude glycerol in the production of value added chemicals, current trends, challenges, future perspectives, metabolic approaches and the genetic tools developed for the improved synthesis over wild type microorganisms were described. Copyright © 2017 Elsevier Ltd. All rights reserved.

Reactive tunnel junctions in electrically driven plasmonic nanorod metamaterials

NASA Astrophysics Data System (ADS)

Wang, Pan; Krasavin, Alexey V.; Nasir, Mazhar E.; Dickson, Wayne; Zayats, Anatoly V.

2018-02-01

Non-equilibrium hot carriers formed near the interfaces of semiconductors or metals play a crucial role in chemical catalysis and optoelectronic processes. In addition to optical illumination, an efficient way to generate hot carriers is by excitation with tunnelling electrons. Here, we show that the generation of hot electrons makes the nanoscale tunnel junctions highly reactive and facilitates strongly confined chemical reactions that can, in turn, modulate the tunnelling processes. We designed a device containing an array of electrically driven plasmonic nanorods with up to 1011 tunnel junctions per square centimetre, which demonstrates hot-electron activation of oxidation and reduction reactions in the junctions, induced by the presence of O2 and H2 molecules, respectively. The kinetics of the reactions can be monitored in situ following the radiative decay of tunnelling-induced surface plasmons. This electrically driven plasmonic nanorod metamaterial platform can be useful for the development of nanoscale chemical and optoelectronic devices based on electron tunnelling.

Hierarchically structured photonic crystals for integrated chemical separation and colorimetric detection.

PubMed

Fu, Qianqian; Zhu, Biting; Ge, Jianping

2017-02-16

A SiO 2 colloidal photonic crystal film with a hierarchical porous structure is fabricated to demonstrate an integrated separation and colorimetric detection of chemical species for the first time. This new photonic crystal based thin layer chromatography process requires no dyeing, developing and UV irradiation compared to the traditional TLC. The assembling of mesoporous SiO 2 particles via a supersaturation-induced-precipitation process forms uniform and hierarchical photonic crystals with micron-scale cracks and mesopores, which accelerate the diffusion of developers and intensify the adsorption/desorption between the analytes and silica for efficient separation. Meanwhile, the chemical substances infiltrated to the voids of photonic crystals cause an increase of the refractive index and a large contrast of structural colors towards the unloaded part, so that the sample spots can be directly recognized with the naked eye before and after separation.

Literally Green Chemical Synthesis of Artemisinin from Plant Extracts.

PubMed

Triemer, Susann; Gilmore, Kerry; Vu, Giang T; Seeberger, Peter H; Seidel-Morgenstern, Andreas

2018-05-04

Active pharmaceutical ingredients are either extracted from biological sources-where they are synthesized in complex, dynamic environments-or prepared in stepwise chemical syntheses by reacting pure reagents and catalysts under controlled conditions. A combination of these two approaches, where plant extracts containing reagents and catalysts are utilized in intensified chemical syntheses, creates expedient and sustainable processes. We illustrate this principle by reacting crude plant extract, oxygen, acid, and light to produce artemisinin, a key active pharmaceutical ingredient of the most powerful antimalarial drugs. The traditionally discarded extract of Artemisia annua plants contains dihydroartemisinic acid-the final biosynthetic precursor-as well as chlorophyll, which acts as a photosensitizer. Efficient irradiation with visible light in a continuous-flow setup produces artemisinin in high yield, and the artificial biosynthetic process outperforms syntheses with pure reagents. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Purification process for vertically aligned carbon nanofibers

NASA Technical Reports Server (NTRS)

Nguyen, Cattien V.; Delziet, Lance; Matthews, Kristopher; Chen, Bin; Meyyappan, M.

2003-01-01

Individual, free-standing, vertically aligned multiwall carbon nanotubes or nanofibers are ideal for sensor and electrode applications. Our plasma-enhanced chemical vapor deposition techniques for producing free-standing and vertically aligned carbon nanofibers use catalyst particles at the tip of the fiber. Here we present a simple purification process for the removal of iron catalyst particles at the tip of vertically aligned carbon nanofibers derived by plasma-enhanced chemical vapor deposition. The first step involves thermal oxidation in air, at temperatures of 200-400 degrees C, resulting in the physical swelling of the iron particles from the formation of iron oxide. Subsequently, the complete removal of the iron oxide particles is achieved with diluted acid (12% HCl). The purification process appears to be very efficient at removing all of the iron catalyst particles. Electron microscopy images and Raman spectroscopy data indicate that the purification process does not damage the graphitic structure of the nanotubes.

Bioconversion of lignocellulosic biomass to xylitol: An overview.

PubMed

Venkateswar Rao, Linga; Goli, Jyosthna Khanna; Gentela, Jahnavi; Koti, Sravanthi

2016-08-01

Lignocellulosic wastes include agricultural and forest residues which are most promising alternative energy sources and serve as potential low cost raw materials that can be exploited to produce xylitol. The strong physical and chemical construction of lignocelluloses is a major constraint for the recovery of xylose. The large scale production of xylitol is attained by nickel catalyzed chemical process that is based on xylose hydrogenation, that requires purified xylose as raw substrate and the process requires high temperature and pressure that remains to be cost intensive and energy consuming. Therefore, there is a necessity to develop an integrated process for biotechnological conversion of lignocelluloses to xylitol and make the process economical. The present review confers about the pretreatment strategies that facilitate cellulose and hemicellulose acquiescent for hydrolysis. There is also an emphasis on various detoxification and fermentation methodologies including genetic engineering strategies for the efficient conversion of xylose to xylitol. Copyright © 2016 Elsevier Ltd. All rights reserved.

Destruction of chemical warfare surrogates using a portable atmospheric pressure plasma jet

NASA Astrophysics Data System (ADS)

Škoro, Nikola; Puač, Nevena; Živković, Suzana; Krstić-Milošević, Dijana; Cvelbar, Uroš; Malović, Gordana; Petrović, Zoran Lj.

2018-01-01

Today's reality is connected with mitigation of threats from the new chemical and biological warfare agents. A novel investigation of cold plasmas in contact with liquids presented in this paper demonstrated that the chemically reactive environment produced by atmospheric pressure plasma jet (APPJ) is potentially capable of rapid destruction of chemical warfare agents in a broad spectrum. The decontamination of three different chemical warfare agent surrogates dissolved in liquid is investigated by using an easily transportable APPJ. The jet is powered by a kHz signal source connected to a low-voltage DC source and with He as working gas. The detailed investigation of electrical properties is performed for various plasmas at different distances from the sample. The measurements of plasma properties in situ are supported by the optical spectrometry measurements, whereas the high performance liquid chromatography measurements before and after the treatment of aqueous solutions of Malathion, Fenitrothion and Dimethyl Methylphosphonate. These solutions are used to evaluate destruction and its efficiency for specific neural agent simulants. The particular removal rates are found to be from 56% up to 96% during 10 min treatment. The data obtained provide basis to evaluate APPJ's efficiency at different operating conditions. The presented results are promising and could be improved with different operating conditions and optimization of the decontamination process.

Catalyst design for enhanced sustainability through fundamental surface chemistry.

PubMed

Personick, Michelle L; Montemore, Matthew M; Kaxiras, Efthimios; Madix, Robert J; Biener, Juergen; Friend, Cynthia M

2016-02-28

Decreasing energy consumption in the production of platform chemicals is necessary to improve the sustainability of the chemical industry, which is the largest consumer of delivered energy. The majority of industrial chemical transformations rely on catalysts, and therefore designing new materials that catalyse the production of important chemicals via more selective and energy-efficient processes is a promising pathway to reducing energy use by the chemical industry. Efficiently designing new catalysts benefits from an integrated approach involving fundamental experimental studies and theoretical modelling in addition to evaluation of materials under working catalytic conditions. In this review, we outline this approach in the context of a particular catalyst-nanoporous gold (npAu)-which is an unsupported, dilute AgAu alloy catalyst that is highly active for the selective oxidative transformation of alcohols. Fundamental surface science studies on Au single crystals and AgAu thin-film alloys in combination with theoretical modelling were used to identify the principles which define the reactivity of npAu and subsequently enabled prediction of new reactive pathways on this material. Specifically, weak van der Waals interactions are key to the selectivity of Au materials, including npAu. We also briefly describe other systems in which this integrated approach was applied. © 2016 The Author(s).

Catalyst design for enhanced sustainability through fundamental surface chemistry

DOE PAGES

Personick, Michelle L.; Montemore, Matthew M.; Kaxiras, Efthimios; ...

2016-01-11

Decreasing energy consumption in the production of platform chemicals is necessary to improve the sustainability of the chemical industry, which is the largest consumer of delivered energy. The majority of industrial chemical transformations rely on catalysts, and therefore designing new materials that catalyse the production of important chemicals via more selective and energy-efficient processes is a promising pathway to reducing energy use by the chemical industry. Efficiently designing new catalysts benefits from an integrated approach involving fundamental experimental studies and theoretical modelling in addition to evaluation of materials under working catalytic conditions. In this paper, we outline this approach inmore » the context of a particular catalyst—nanoporous gold (npAu)—which is an unsupported, dilute AgAu alloy catalyst that is highly active for the selective oxidative transformation of alcohols. Fundamental surface science studies on Au single crystals and AgAu thin-film alloys in combination with theoretical modelling were used to identify the principles which define the reactivity of npAu and subsequently enabled prediction of new reactive pathways on this material. Specifically, weak van der Waals interactions are key to the selectivity of Au materials, including npAu. Finally, we also briefly describe other systems in which this integrated approach was applied.« less

Evaluating Indicators and Life Cycle Inventories for Processes in Early Stages of Technical Readiness

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Eric C; Smith, Raymond; Ruiz-Mercado, Gerardo

This presentation examines different methods for analyzing manufacturing processes in the early stages of technical readiness. Before developers know much detail about their processes, it is valuable to apply various assessments to evaluate their performance. One type of assessment evaluates performance indicators to describe how closely processes approach desirable objectives. Another type of assessment determines the life cycle inventories (LCI) of inputs and outputs for processes, where for a functional unit of product, the user evaluates the resources used and the releases to the environment. These results can be compared to similar processes or combined with the LCI of othermore » processes to examine up-and down-stream chemicals. The inventory also provides a listing of the up-stream chemicals, which permits study of the whole life cycle. Performance indicators are evaluated in this presentation with the U.S. Environmental Protection Agency's GREENSCOPE (Gauging Reaction Effectiveness for ENvironmental Sustainability with a multi-Objective Process Evaluator) methodology, which evaluates processes in four areas: Environment, Energy, Economics, and Efficiency. The method develops relative scores for indicators that allow comparisons across various technologies. In this contribution, two conversion pathways for producing cellulosic ethanol from biomass, via thermochemical and biochemical routes, are studied. The information developed from the indicators and LCI can be used to inform the process design and the potential life cycle effects of up- and down-stream chemicals.« less

Removal of PCBs in contaminated soils by means of chemical reduction and advanced oxidation processes.

PubMed

Rybnikova, V; Usman, M; Hanna, K

2016-09-01

Although the chemical reduction and advanced oxidation processes have been widely used individually, very few studies have assessed the combined reduction/oxidation approach for soil remediation. In the present study, experiments were performed in spiked sand and historically contaminated soil by using four synthetic nanoparticles (Fe(0), Fe/Ni, Fe3O4, Fe3 - x Ni x O4). These nanoparticles were tested firstly for reductive transformation of polychlorinated biphenyls (PCBs) and then employed as catalysts to promote chemical oxidation reactions (H2O2 or persulfate). Obtained results indicated that bimetallic nanoparticles Fe/Ni showed the highest efficiency in reduction of PCB28 and PCB118 in spiked sand (97 and 79 %, respectively), whereas magnetite (Fe3O4) exhibited a high catalytic stability during the combined reduction/oxidation approach. In chemical oxidation, persulfate showed higher PCB degradation extent than hydrogen peroxide. As expected, the degradation efficiency was found to be limited in historically contaminated soil, where only Fe(0) and Fe/Ni particles exhibited reductive capability towards PCBs (13 and 18 %). In oxidation step, the highest degradation extents were obtained in presence of Fe(0) and Fe/Ni (18-19 %). The increase in particle and oxidant doses improved the efficiency of treatment, but overall degradation extents did not exceed 30 %, suggesting that only a small part of PCBs in soil was available for reaction with catalyst and/or oxidant. The use of organic solvent or cyclodextrin to improve the PCB availability in soil did not enhance degradation efficiency, underscoring the strong impact of soil matrix. Moreover, a better PCB degradation was observed in sand spiked with extractable organic matter separated from contaminated soil. In contrast to fractions with higher particle size (250-500 and <500 μm), no PCB degradation was observed in the finest fraction (≤250 μm) having higher organic matter content. These findings may have important practical implications to promote successively reduction and oxidation reactions in soils and understand the impact of soil properties on remediation performance.

Evaluation of selected chemical processes for production of low-cost silicon, phase 3

NASA Technical Reports Server (NTRS)

Blocher, J. M., Jr.; Browning, M. F.; Seifert, D. A.

1981-01-01

A Process Development Unit (PDU), which consisted of the four major units of the process, was designed, installed, and experimentally operated. The PDU was sized to 50MT/Yr. The deposition took place in a fluidized bed reactor. As a consequences of the experiments, improvements in the design an operation of these units were undertaken and their experimental limitations were partially established. A parallel program of experimental work demonstrated that Zinc can be vaporized for introduction into the fluidized bed reactor, by direct induction-coupled r.f. energy. Residual zinc in the product can be removed by heat treatment below the melting point of silicon. Current efficiencies of 94 percent and above, and power efficiencies around 40 percent are achievable in the laboratory-scale electrolysis of ZnCl2.

Dye bias correction in dual-labeled cDNA microarray gene expression measurements.

PubMed Central

Rosenzweig, Barry A; Pine, P Scott; Domon, Olen E; Morris, Suzanne M; Chen, James J; Sistare, Frank D

2004-01-01

A significant limitation to the analytical accuracy and precision of dual-labeled spotted cDNA microarrays is the signal error due to dye bias. Transcript-dependent dye bias may be due to gene-specific differences of incorporation of two distinctly different chemical dyes and the resultant differential hybridization efficiencies of these two chemically different targets for the same probe. Several approaches were used to assess and minimize the effects of dye bias on fluorescent hybridization signals and maximize the experimental design efficiency of a cell culture experiment. Dye bias was measured at the individual transcript level within each batch of simultaneously processed arrays by replicate dual-labeled split-control sample hybridizations and accounted for a significant component of fluorescent signal differences. This transcript-dependent dye bias alone could introduce unacceptably high numbers of both false-positive and false-negative signals. We found that within a given set of concurrently processed hybridizations, the bias is remarkably consistent and therefore measurable and correctable. The additional microarrays and reagents required for paired technical replicate dye-swap corrections commonly performed to control for dye bias could be costly to end users. Incorporating split-control microarrays within a set of concurrently processed hybridizations to specifically measure dye bias can eliminate the need for technical dye swap replicates and reduce microarray and reagent costs while maintaining experimental accuracy and technical precision. These data support a practical and more efficient experimental design to measure and mathematically correct for dye bias. PMID:15033598

Hybrid photosynthesis-powering biocatalysts with solar energy captured by inorganic devices.

PubMed

Zhang, Tian; Tremblay, Pier-Luc

2017-01-01

The biological reduction of CO 2 driven by sunlight via photosynthesis is a crucial process for life on earth. However, the conversion efficiency of solar energy to biomass by natural photosynthesis is low. This translates in bioproduction processes relying on natural photosynthesis that are inefficient energetically. Recently, hybrid photosynthetic technologies with the potential of significantly increasing the efficiency of solar energy conversion to products have been developed. In these systems, the reduction of CO 2 into biofuels or other chemicals of interest by biocatalysts is driven by solar energy captured with inorganic devices such as photovoltaic cells or photoelectrodes. Here, we explore hybrid photosynthesis and examine the strategies being deployed to improve this biotechnology.

Theoretical and experimental research in space photovoltaics

NASA Technical Reports Server (NTRS)

Faur, Mircea; Faur, Maria

1995-01-01

Theoretical and experimental research is outlined for indium phosphide solar cells, other solar cells for space applications, fabrication and performance measurements of shallow homojunction InP solar cells for space applications, improved processing steps and InP material characterization with applications to fabrication of high efficiency radiation resistant InP solar cells and other opto-electronic InP devices, InP solar cells fabricated by thermal diffusion, experiment-based predicted high efficiency solar cells fabricated by closed-ampoule thermal diffusion, radiation resistance of diffused junction InP solar cells, chemical and electrochemical characterization and processing of InP diffused structures and solar cells, and progress in p(+)n InP diffused solar cells.

Maximizing root/rhizosphere efficiency to improve crop productivity and nutrient use efficiency in intensive agriculture of China.

PubMed

Shen, Jianbo; Li, Chunjian; Mi, Guohua; Li, Long; Yuan, Lixing; Jiang, Rongfeng; Zhang, Fusuo

2013-03-01

Root and rhizosphere research has been conducted for many decades, but the underlying strategy of root/rhizosphere processes and management in intensive cropping systems remain largely to be determined. Improved grain production to meet the food demand of an increasing population has been highly dependent on chemical fertilizer input based on the traditionally assumed notion of 'high input, high output', which results in overuse of fertilizers but ignores the biological potential of roots or rhizosphere for efficient mobilization and acquisition of soil nutrients. Root exploration in soil nutrient resources and root-induced rhizosphere processes plays an important role in controlling nutrient transformation, efficient nutrient acquisition and use, and thus crop productivity. The efficiency of root/rhizosphere in terms of improved nutrient mobilization, acquisition, and use can be fully exploited by: (1) manipulating root growth (i.e. root development and size, root system architecture, and distribution); (2) regulating rhizosphere processes (i.e. rhizosphere acidification, organic anion and acid phosphatase exudation, localized application of nutrients, rhizosphere interactions, and use of efficient crop genotypes); and (3) optimizing root zone management to synchronize root growth and soil nutrient supply with demand of nutrients in cropping systems. Experiments have shown that root/rhizosphere management is an effective approach to increase both nutrient use efficiency and crop productivity for sustainable crop production. The objectives of this paper are to summarize the principles of root/rhizosphere management and provide an overview of some successful case studies on how to exploit the biological potential of root system and rhizosphere processes to improve crop productivity and nutrient use efficiency.

Doped titanium oxide photcatalysts: Preparation, structure and interaction with viruses

NASA Astrophysics Data System (ADS)

Li, Qi

Since the discovery of photoelectrochemical splitting of water on n-titanium oxide (n-TiO2) electrodes by Fujishima and Honda in 1972, there has been much interest in semiconductor-based materials as photocatalysts for both solar energy conversion and environmental applications in the past several decades. Among various semiconductor-based photocatalysts, TiO2 is the only candidate suitable for industrial use because of its high chemical stability, good photoactivity, relatively low cost, and nontoxicity. However, the photocatalytic capability of TiO 2 is limited to only ultraviolet (UV) light (wavelength, lambda, < 400 nm), seriously limiting its solar efficiency. In this study, both chemical and physical modification approaches were developed to extend the absorption band-edge of TiO2 into the visible light region with improved stability, photocatalytic efficiency and ease of the doping process. Two major approaches were used in the material synthesis and processing, including the ion-beam-assisted-deposition (IBAD) technique and sol-gel based processes. Both nitrogen-doped TiO2 (TiON) and nitrogen/palladium co-doped TiO2 (TiON/PdO) photocatalysts were created and their photocatalytic activity was investigated by the degradation of methylene blue (MB) and disinfection of bacteria and viruses under visible light illumination. The sol-gel process was optimized to produce high quality TiON-based photocatalysts by carefully modulating the precursor ratio and calcination temperature. A TiON inverse opal structure was created, which demonstrated enhanced visible light absorption and subsequently improved photocatalytic efficiency by the combination of chemical and physical modifications on n-TiO2. The effect of palladium dopant on the optical and photocatalytic properties of TiON/PdO photocatalyst was examined, which suggests that a careful optimization of the transition metal ion dopant concentration is needed to achieve high photocatalytic efficiency in these anion and transition metal ion co-doped TiO2 photocatalysts. High photocatalytic virus disinfection efficiency under visible-light illumination was observed for the first time with TiON/PdO photocatalyst, and the interaction between MS2 virus and TiO2-based semiconductor surfaces was successfully modulated. A strategy to use atomic force microscope (AFM) to conduct in-situ observation of viruses on semiconductor surfaces in aqueous environment was developed, which combines information from both height profile and phase profile and solves the difficulty of observing small nanosized biomolecules on substrates with similar feature sizes.

Comparison of the efficiencies of attached- versus suspended-growth SBR systems in the treatment of recycled paper mill wastewater.

PubMed

Muhamad, Mohd Hafizuddin; Sheikh Abdullah, Siti Rozaimah; Abu Hasan, Hassimi; Abd Rahim, Reehan Adnee

2015-11-01

The complexity of residual toxic organics from biologically treated effluents of pulp and paper mills is a serious concern. To date, it has been difficult to choose the best treatment technique because each of the available options has advantages and drawbacks. In this study, two different treatment techniques using laboratory-scale aerobic sequencing batch reactors (SBRs) were tested with the same real recycled paper mill effluent to evaluate their treatment efficiencies. Two attached-growth SBRs using granular activated carbon (GAC) with and without additional biomass and a suspended-growth SBR were used in the treatment of real recycled paper mill effluent at a chemical oxygen demand (COD) level in the range of 800-1300 mg/L, a fixed hydraulic retention time of 24 h and a COD:N:P ratio of approximately 100:5:1. The efficiency of this biological treatment process was studied over a 300-day period. The six most important wastewater quality parameters, namely, chemical oxygen demand (COD), turbidity, ammonia (expressed as NH3-N), phosphorus (expressed as PO4(3)-P), colour, and suspended solids (SS), were measured to compare the different treatment techniques. It was determined that these processes were able to almost completely and simultaneously eliminate COD (99%) and turbidity (99%); the removals of NH3-N (90-100%), PO4(3)-P (66-78%), colour (63-91%), and SS (97-99%) were also sufficient. The overall performance results confirmed that an attached-growth SBR system using additional biomass on GAC is a promising configuration for wastewater treatment in terms of performance efficiency and process stability under fluctuations of organic load. Hence, this hybrid system is recommended for the treatment of pulp and paper mill effluents. Copyright © 2015 Elsevier Ltd. All rights reserved.

Combined mesophilic anaerobic and thermophilic aerobic digestion process for high-strength food wastewater to increase removal efficiency and reduce sludge discharge.

PubMed

Jang, H M; Park, S K; Ha, J H; Park, J M

2014-01-01

In this study, a process that combines the mesophilic anaerobic digestion (MAD) process with thermophilic aerobic digestion (TAD) for high-strength food wastewater (FWW) treatment was developed to examine the removal of organic matter and methane production. All effluent discharged from the MAD process was separated into solid and liquid portions. The liquid part was discarded and the sludge part was passed to the TAD process for further degradation. Then, the digested sludge from the TAD process was recycled back to the MAD unit to achieve low sludge discharge from the combined process. The reactor combination was operated in two phases: during Phase I, 40 d of total hydraulic retention time (HRT) was applied; during Phase II, 20 d was applied. HRT of the TAD process was fixed at 5 d. For a comparison, a control process (single-stage MAD) was operated with the same HRTs of the combined process. Our results indicated that the combined process showed over 90% total solids, volatile solids and chemical oxygen demand removal efficiencies. In addition, the combined process showed a significantly higher methane production rate than that of the control process. Consequently, the experimental data demonstrated that the combined MAD-TAD process was successfully employed for high-strength FWW treatment with highly efficient organic matter reduction and methane production.

Reaction chemistry and collisional processes in multiple devices for resolving isobaric interferences in ICP-MS.

PubMed

Bandura, D R; Baranov, V I; Tanner, S D

2001-07-01

A low-level review of the fundamentals of ion-molecule interactions is presented. These interactions are used to predict the efficiencies of collisional fragmentation, energy damping and reaction for a variety of neutral gases as a function of pressure in a rf-driven collision/reaction cell. It is shown that the number of collisions increases dramatically when the ion energies are reduced to near-thermal (< 0.1 eV), because of the ion-induced dipole and ion-dipole interaction. These considerations suggest that chemical reaction can be orders of magnitude more efficient at improving the analyte signal/background ratio than can collisional fragmentation. Considerations that lead to an appropriate selection of type of gas, operating pressure, and ion energies for efficient operation of the cell for the alleviation of spectral interferences are discussed. High efficiency (large differences between reaction efficiencies of the analyte and interference ions, and concomitant suppression of secondary chemistry) might be required to optimize the chemical resolution (determination of an analyte in the presence of an isobaric interference) when using ion-molecule chemistry to suppress the interfering ion. In many instances atom transfer to the analyte, which shifts the analytical m/z by the mass of the atom transferred, provides high chemical resolution, even when the efficiency of reaction is relatively low. Examples are given of oxidation, hydroxylation, and chlorination of analyte ions (V+, Fe+, As+, Se+, Sr+, Y+, and Zr+) to improve the capability of determination of complex samples. Preliminary results are given showing O-atom abstraction by CO from CaO+ to enable the determination of Fe in high-Ca samples.

Lithography - Green and Getting Greener

NASA Astrophysics Data System (ADS)

Levinson, Harry J.

2011-06-01

Today, many energy-saving technologies and practices are enabled or made more effective through the use of nano-electronics. Such technologies include hybrid and all-electric cars, as well as controllers to increase the efficiency of photovoltaic panels. Telecommuting, which enables people to work without traveling from their homes, has been made possible by personal computers and the internet. Reducing the costs of nano-electronics will make possible increased opportunities for the use of products that reduce energy consumption. The most effective way to reduce costs is to improve efficiency. Increased efficiency also provides the benefit of reducing energy and material consumption in the manufacturing of nano-electronics. For example, reducing photochemical usage decreases costs but also reduces material consumption and the need for disposal. Reduction of scrap and rework are direct improvements in efficiency. Cycle time reduction enables greater responsiveness to demand, reducing the amount of material started in processing but never completed. Good process control reduces scrap and rework during manufacturing and results in circuits that have high performance, yet lower power consumption, when used. There are ready opportunities for making the most of the natural tendencies of businesses to innovate and improve efficiency. The semiconductor industry has historically adopted process improvements that have increased worker safety and reduced the consumption of hazardous materials. An early example was the transition from solvent to aqueous photoresist developers. Today, all types of development can be conducted in safer equipment that minimizes the release of hazardous chemicals to the air and water. Non-toxic solvents, such as ethyl lactate, have been widely adopted. There are many opportunities for further improvement. For example, over 90% of resist goes down the drain using conventional spin-coating process, so there is an opportunity for greatly improved efficiency in that operation. A lot of water is used to reduce defects when using chemically amplified resists, and the amount of water needed could be reduced by improved design of resists and substrate coatings. Thinking further into the future, directed self-assembly has the promise of a patterning technology that can be applied simply and with energy-efficiency. Once the fundamental challenges of creating high output extreme ultraviolet (EUV) light sources are overcome, there will be great opportunities for reducing electricity consumption.

Life-cycle and cost of goods assessment of fed-batch and perfusion-based manufacturing processes for mAbs.

PubMed

Bunnak, Phumthep; Allmendinger, Richard; Ramasamy, Sri V; Lettieri, Paola; Titchener-Hooker, Nigel J

2016-09-01

Life-cycle assessment (LCA) is an environmental assessment tool that quantifies the environmental impact associated with a product or a process (e.g., water consumption, energy requirements, and solid waste generation). While LCA is a standard approach in many commercial industries, its application has not been exploited widely in the bioprocessing sector. To contribute toward the design of more cost-efficient, robust and environmentally-friendly manufacturing process for monoclonal antibodies (mAbs), a framework consisting of an LCA and economic analysis combined with a sensitivity analysis of manufacturing process parameters and a production scale-up study is presented. The efficiency of the framework is demonstrated using a comparative study of the two most commonly used upstream configurations for mAb manufacture, namely fed-batch (FB) and perfusion-based processes. Results obtained by the framework are presented using a range of visualization tools, and indicate that a standard perfusion process (with a pooling duration of 4 days) has similar cost of goods than a FB process but a larger environmental footprint because it consumed 35% more water, demanded 17% more energy, and emitted 17% more CO 2 than the FB process. Water consumption was the most important impact category, especially when scaling-up the processes, as energy was required to produce process water and water-for-injection, while CO 2 was emitted from energy generation. The sensitivity analysis revealed that the perfusion process can be made more environmentally-friendly than the FB process if the pooling duration is extended to 8 days. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 32:1324-1335, 2016. © 2016 The Authors Biotechnology Progress published by Wiley Periodicals, Inc. on behalf of American Institute of Chemical Engineers.

Controlling organic chemical hazards in food manufacturing: a hazard analysis critical control points (HACCP) approach.

PubMed

Ropkins, K; Beck, A J

2002-08-01

Hazard analysis by critical control points (HACCP) is a systematic approach to the identification, assessment and control of hazards. Effective HACCP requires the consideration of all hazards, i.e., chemical, microbiological and physical. However, to-date most 'in-place' HACCP procedures have tended to focus on the control of microbiological and physical food hazards. In general, the chemical component of HACCP procedures is either ignored or limited to applied chemicals, e.g., food additives and pesticides. In this paper we discuss the application of HACCP to a broader range of chemical hazards, using organic chemical contaminants as examples, and the problems that are likely to arise in the food manufacturing sector. Chemical HACCP procedures are likely to result in many of the advantages previously identified for microbiological HACCP procedures: more effective, efficient and economical than conventional end-point-testing methods. However, the high costs of analytical monitoring of chemical contaminants and a limited understanding of formulation and process optimisation as means of controlling chemical contamination of foods are likely to prevent chemical HACCP becoming as effective as microbiological HACCP.

Removal efficiency and toxicity reduction of 4-chlorophenol with physical, chemical and biochemical methods.

PubMed

Gómez, M; Murcia, M D; Dams, R; Christofi, N; Gómez, E; Gómez, J L

2012-01-01

Chlorophenols are well-known priority pollutants and many different treatments have been assessed to facilitate their removal from industrial wastewater. However, an absolute and optimum solution still has to be practically implemented in an industrial setting. In this work, a series ofphysical, chemical and biochemical treatments have been systematically tested for the removal of 4-chlorophenol, and their results have been compared in order to determine the most effective treatment based on removal efficiency and residual by-product formation. Chemical treatments based on advanced oxidation processes (AOP) produced the best results on rate and extent of pollutant removal. The non-chemical technologies showed advantages in terms of complete (in the case of adsorption) or easy (enzymatic treatments) removal of toxic treatment by-products. The AOP methods led to the production of different photoproducts depending on the chosen treatment. Toxic products remained in most cases following treatment, though the toxicity level is significantly reduced with combination treatments. Among the treatments, a photochemical method combining UV, produced with a KrCl excilamp, and hydrogen peroxide achieved total removal of chlorophenol and all by-products and is considered the best treatment for chlorophenol removal.

Optical and chemical characterization of aerosols emitted from coal, heavy and light fuel oil, and small-scale wood combustion.

PubMed

Frey, Anna K; Saarnio, Karri; Lamberg, Heikki; Mylläri, Fanni; Karjalainen, Panu; Teinilä, Kimmo; Carbone, Samara; Tissari, Jarkko; Niemelä, Ville; Häyrinen, Anna; Rautiainen, Jani; Kytömäki, Jorma; Artaxo, Paulo; Virkkula, Aki; Pirjola, Liisa; Rönkkö, Topi; Keskinen, Jorma; Jokiniemi, Jorma; Hillamo, Risto

2014-01-01

Particle emissions affect radiative forcing in the atmosphere. Therefore, it is essential to know the physical and chemical characteristics of them. This work studied the chemical, physical, and optical characteristics of particle emissions from small-scale wood combustion, coal combustion of a heating and power plant, as well as heavy and light fuel oil combustion at a district heating station. Fine particle (PM1) emissions were the highest in wood combustion with a high fraction of absorbing material. The emissions were lowest from coal combustion mostly because of efficient cleaning techniques used at the power plant. The chemical composition of aerosols from coal and oil combustion included mostly ions and trace elements with a rather low fraction of absorbing material. The single scattering albedo and aerosol forcing efficiency showed that primary particles emitted from wood combustion and some cases of oil combustion would have a clear climate warming effect even over dark earth surfaces. Instead, coal combustion particle emissions had a cooling effect. Secondary processes in the atmosphere will further change the radiative properties of these emissions but are not considered in this study.

Direct Conversion of Methane to Value-Added Chemicals over Heterogeneous Catalysts: Challenges and Prospects.

PubMed

Schwach, Pierre; Pan, Xiulian; Bao, Xinhe

2017-07-12

The quest for an efficient process to convert methane efficiently to fuels and high value-added chemicals such as olefins and aromatics is motivated by their increasing demands and recently discovered large reserves and resources of methane. Direct conversion to these chemicals can be realized either oxidatively via oxidative coupling of methane (OCM) or nonoxidatively via methane dehydroaromatization (MDA), which have been under intensive investigation for decades. While industrial applications are still limited by their low yield (selectivity) and stability issues, innovations in new catalysts and concepts are needed. The newly emerging strategy using iron single sites to catalyze methane conversion to olefins, aromatics, and hydrogen (MTOAH) attracted much attention when it was reported. Because the challenge lies in controlled dehydrogenation of the highly stable CH 4 and selective C-C coupling, we focus mainly on the fundamentals of C-H activation and analyze the reaction pathways toward selective routes of OCM, MDA, and MTOAH. With this, we intend to provide some insights into their reaction mechanisms and implications for future development of highly selective catalysts for direct conversion of methane to high value-added chemicals.

Effective solidification/stabilisation of mercury-contaminated wastes using zeolites and chemically bonded phosphate ceramics.

PubMed

Zhang, Shaoqing; Zhang, Xinyan; Xiong, Ya; Wang, Guoping; Zheng, Na

2015-02-01

In this study, two kinds of zeolites materials (natural zeolite and thiol-functionalised zeolite) were added to the chemically bonded phosphate ceramic processes to treat mercury-contaminated wastes. Strong promotion effects of zeolites (natural zeolite and thiol-functionalised zeolite) on the stability of mercury in the wastes were obtained and these technologies showed promising advantages toward the traditional Portland cement process, i.e. using Portland cement as a solidification agent and natural or thiol-functionalised zeolite as a stabilisation agent. Not only is a high stabilisation efficiency (lowered the Toxicity Characteristic Leaching Procedure Hg by above 10%) obtained, but also a lower dosage of solidification (for thiol-functionalised zeolite as stabilisation agent, 0.5 g g(-1) and 0.7 g g(-1) for chemically bonded phosphate ceramic and Portland cement, respectively) and stabilisation agents (for natural zeolite as stabilisation agent, 0.35 g g(-1) and 0.4 g g(-1) for chemically bonded phosphate ceramic and Portland cement, respectively) were used compared with the Portland cement process. Treated by thiol-functionalised zeolite and chemically bonded phosphate ceramic under optimum parameters, the waste containing 1500 mg Hg kg(-1) passed the Toxicity Characteristic Leaching Procedure test. Moreover, stabilisation/solidification technology using natural zeolite and chemically bonded phosphate ceramic also passed the Toxicity Characteristic Leaching Procedure test (the mercury waste containing 625 mg Hg kg(-1)). Moreover, the presence of chloride and phosphate did not have a negative effect on the chemically bonded phosphate ceramic/thiol-functionalised zeolite treatment process; thus, showing potential for future application in treatment of 'difficult-to-manage' mercury-contaminated wastes or landfill disposal with high phosphate and chloride content. © The Author(s) 2015.

Printable CIGS thin film solar cells

NASA Astrophysics Data System (ADS)

Fan, Xiaojuan

2014-03-01

Among the various thin film solar cells in the market, CuInGaSe thin film cells have been considered as the most promising alternatives to silicon solar cells because of their high photo-electricity efficiency, reliability, and stability. However, many fabrication of CIGS thin film are based on vacuum processes such as evaporation sputtering techniques which are not cost efficient. This work develops a method using paste or ink liquid spin-coated on glass that would be to conventional ways in terms of cost effective, non-vacuum needed, quick processing. A mixture precursor was prepared by dissolving appropriate amounts of chemicals. After the mixture solution was cooled, a viscous paste prepared and ready for spin-coating process. A slight bluish CIG thin film substrate was then put in a tube furnace with evaporation of metal Se by depositing CdS layer and ZnO nanoparticle thin film coating to a solar cell fabrication. Structure, absorption spectrum, and photo-conversion efficiency for the as-grown CIGS thin film solar cell under study.

Monitoring the fate and behavior of TiO2 nanoparticles: Simulated in a WWTP with industrial dye-stuff effluent according to OECD 303A.

PubMed

Mahlalela, Lwazi C; Ngila, Jane C; Dlamini, Langelihle N

2017-07-03

The use of nanoparticles (NPs) in several consumer products has led to them finding their way into wastewater treatment plants (WWTPs). Some of these NPs have photocatalytic properties, thus providing a possible solution to textile industries to photodegrade dyes from their wastewater. Thus, the interaction of NPs with industrial dye effluents is inevitable. The Organization for Economic Co-operation and development (OECD) guideline for testing of chemical 303A was employed to study the fate and behaviour of TiO 2 NPs in industrial dye-stuff effluent. This was due to the unavailability of NPs' fate and behaviour test protocols. The effect of TiO 2 NPs on the treatment process was ascertained by measuring chemical oxygen demand (COD) and 5-day biological oxygen demand (BOD5). Inductively coupled plasma optical emission spectroscopy (ICP-OES) was used to study the fate and behavior of TiO 2 NPs. Acclimatization of bacteria to target pollutants was a crucial factor for the treatment efficiency of activated sludge in a simulated wastewater treatment plant (SWTP). The acclimatization of the activated sludge to the synthetic industrial dye-stuff effluent was successfully achieved. Effect of TiO 2 NPs on the treatment process efficiency was then investigated. Addition of TiO 2 NPs had no effect on the treatment process as chemical oxygen demand (COD) removal remained >80%. Measured total plate count (TPC) affirmed that the addition of TiO 2 NPs had no effect on the treatment process. The removal of total nitrogen (TN) was not efficient as the treatment system was required to have an oxic and anoxic stage for efficient TN removal. Results from X-ray powder diffraction (XRD) confirmed that the anatase phase of the added TiO 2 NPs remained unchanged even after exposure to the treatment plant. Removal of the NPs from the influent was facilitated by biosorption of the NPs on the activated sludge. Nanoparticles received by wastewater treatment plants will therefore reach the environment through sludge waste dumped in landfill. About 90% of TiO 2 was retained in the activated sludge, and 10-11% escaped with the treated effluents. Scanning electron microscope (SEM) mapping micrographs together with an energy dispersive X-ray spectroscopy (EDS) confirmed the presence of Ti in the sludge.

Coupled thermal/chemical/mechanical modeling of energetic materials in ALE3D

NASA Technical Reports Server (NTRS)

Nichols, A. L.; Couch, R.; Maltby, J. D.; McCallen, R. C.; Otero, I.

1996-01-01

We must improve our ability to model the response of energetic materials to thermal stimuli and the processes involved in the energetic response. We have developed and used a time step option to efficiently and accurately compute the hours that the energetic material can take to react. Since on these longer film scales, materials can be expected to have significant motion, it is even more important to provide high-order advection for all components, including the chemical species. We show an example cook-off problem to illustrate these capabilities.

Exploring Contextual Models in Chemical Patent Search

NASA Astrophysics Data System (ADS)

Urbain, Jay; Frieder, Ophir

We explore the development of probabilistic retrieval models for integrating term statistics with entity search using multiple levels of document context to improve the performance of chemical patent search. A distributed indexing model was developed to enable efficient named entity search and aggregation of term statistics at multiple levels of patent structure including individual words, sentences, claims, descriptions, abstracts, and titles. The system can be scaled to an arbitrary number of compute instances in a cloud computing environment to support concurrent indexing and query processing operations on large patent collections.

Manipulating surface wettability and oil absorbency of diatomite depending on processing and ambient conditions

NASA Astrophysics Data System (ADS)

Özen, İlhan; Şimşek, Süleyman; Okyay, Gamze

2015-03-01

In this study, a diatomite sample, which is a natural inorganic mineral with inherently high water and oil absorption capacity, was subjected to grinding before surface modification. Afterwards, the diatomite surface was modified via facile methods using a fluorocarbon (FC) chemical and stearic acid (SA) in addition to the sol-gel fluorosilanization (FS) process. The water and oil wettability, and oil absorbency properties of the unmodified and modified diatomites were investigated in addition to diatomite characterizations such as chemical content, surface area, particle size distribution, morphology, and modification efficiency. It was revealed that the wettability was changed completely depending on the surface modification agent and the media used, while the oil absorbency property surprisingly did not change. On the other hand, the oil absorbency was worsened by the grinding process, whereas the wettability was not affected.

Hydrogenation of silyl formates: sustainable production of silanol and methanol from hydrosilane and carbon dioxide.

PubMed

Koo, Jangwoo; Kim, Seung Hyo; Hong, Soon Hyeok

2018-05-10

A new process for simultaneously obtaining two chemical building blocks, methanol and silanol, was realized starting from silyl formates which can be derived from silane and carbon dioxide. Understanding the reaction mechanism enabled us to improve the reaction efficiency by the addition of a small amount of methanol.

Corrosion Prevention for Wheeled Vehicle Systems

DTIC Science & Technology

1993-08-13

The audit objective was to evaluate the effectiveness and efficiency of the Army’s procedures for acquiring corrosion prevention and chemical agent...resistant coatings for wheeled vehicle systems. To accomplish this objective, we reviewed corrosion controls and painting processes. The audit also...included a review of the adequacy of internal controls related to the audit objective.

Novel structural features of xylanase A1 from Paenibacillus sp. JDR-2

Treesearch

Franz J. St John; James F. Preston; Edwin Pozharski

2012-01-01

The Gram-positive bacterium Paenibacillus sp. JDR-2 (PbJDR2) has been shown to have novel properties in the utilization of the abundant but chemically complex hemicellulosic sugar glucuronoxylan. Xylanase A1 of PbJDR2 (PbXynA1) has been implicated in an efficient process in which extracellular...

Butanol production from food waste: a novel process for producing sustainable energy and reducing environmental pollution

USDA-ARS?s Scientific Manuscript database

Efficient utilization of food waste for fuel and chemical production can positively influence both the energy and environmental sustainability. In these studies we investigated use of food waste to produce butanol by Clostridium beijerinckii P260. In control fermentation, 40.5 g/L of glucose (initia...

Mutation of Photosystem II D1 protein that empower efficient phenotypes of Chlamydomonas Reinhardtii under extreme environment in space

USDA-ARS?s Scientific Manuscript database

Oxygenic photosynthesis involves capture and conversion of light energy into chemical energy, a process fundamental to life including plant productivity on Earth. Photosynthetic electron transport is catalyzed by two photochemical reaction centres in series, photosystem II (PS II) and photosytem I (...

Substrate-Related Factors Affecting Enzymatic Saccharification of Lignocelluloses: Our Recent Understanding

Treesearch

Shao-Yuan Leu; J.Y. Zhu

2013-01-01

Enzymatic saccharification of cellulose is a key step in conversion of plant biomass to advanced biofuel and chemicals. Many substrate-related factors affect saccharification. Rather than examining the role of each individual factor on overall saccharification efficiency, this study examined how each factor affects the three basic processes of a heterogeneous...

DOE Office of Scientific and Technical Information (OSTI.GOV)

Small, Leo J.; Brumbach, Michael T.; Clem, Paul G.

A new multi-step, solution-phase method for the spontaneous deposition of tungsten from a room temperature ethereal solution is reported. This immersion process relies on the deposition of a sacrificial zinc coating which is galvanically displaced by the ether-mediated reduction of oxophilic WCl 6. Subsequent thermal treatment renders a crystalline, metallic tungsten film. The chemical evolution of the surface and formation of a complex intermediate tungsten species is characterized by X-ray diffraction, infrared spectroscopy, and X-ray photoelectron spectroscopy. Efficient metallic tungsten deposition is first characterized on a graphite substrate and then demonstrated on a functional carbon foam electrode. The resulting electrochemicalmore » performance of the modified electrode is interrogated with the canonical aqueous ferricyanide system. A tungsten-coated carbon foam electrode showed that both electrode resistance and overall electrochemical cell resistance were reduced by 50%, resulting in a concomitant decrease in redox peak separation from 1.902 V to 0.783 V. Furthermore, this process promises voltage efficiency gains in electrodes for energy storage technologies and demonstrates the viability of a new route to tungsten coating for technologies and industries where high conductivity and chemical stability are paramount.« less

Effect of band-aligned double absorber layers on photovoltaic characteristics of chemical bath deposited PbS/CdS thin film solar cells.

PubMed

Ho Yeon, Deuk; Chandra Mohanty, Bhaskar; Lee, Seung Min; Soo Cho, Yong

2015-09-23

Here we report the highest energy conversion efficiency and good stability of PbS thin film-based depleted heterojunction solar cells, not involving PbS quantum dots. The PbS thin films were grown by the low cost chemical bath deposition (CBD) process at relatively low temperatures. Compared to the quantum dot solar cells which require critical and multistep complex procedures for surface passivation, the present approach, leveraging the facile modulation of the optoelectronic properties of the PbS films by the CBD process, offers a simpler route for optimization of PbS-based solar cells. Through an architectural modification, wherein two band-aligned junctions are stacked without any intervening layers, an enhancement of conversion efficiency by as much as 30% from 3.10 to 4.03% facilitated by absorption of a wider range of solar spectrum has been obtained. As an added advantage of the low band gap PbS stacked over a wide gap PbS, the devices show stability over a period of 10 days.

Acceleration and sensitivity analysis of lattice kinetic Monte Carlo simulations using parallel processing and rate constant rescaling

NASA Astrophysics Data System (ADS)

Núñez, M.; Robie, T.; Vlachos, D. G.

2017-10-01

Kinetic Monte Carlo (KMC) simulation provides insights into catalytic reactions unobtainable with either experiments or mean-field microkinetic models. Sensitivity analysis of KMC models assesses the robustness of the predictions to parametric perturbations and identifies rate determining steps in a chemical reaction network. Stiffness in the chemical reaction network, a ubiquitous feature, demands lengthy run times for KMC models and renders efficient sensitivity analysis based on the likelihood ratio method unusable. We address the challenge of efficiently conducting KMC simulations and performing accurate sensitivity analysis in systems with unknown time scales by employing two acceleration techniques: rate constant rescaling and parallel processing. We develop statistical criteria that ensure sufficient sampling of non-equilibrium steady state conditions. Our approach provides the twofold benefit of accelerating the simulation itself and enabling likelihood ratio sensitivity analysis, which provides further speedup relative to finite difference sensitivity analysis. As a result, the likelihood ratio method can be applied to real chemistry. We apply our methodology to the water-gas shift reaction on Pt(111).

BTEX biodegradation by bacteria from effluents of petroleum refinery.

PubMed

Mazzeo, Dânia Elisa Christofoletti; Levy, Carlos Emílio; de Angelis, Dejanira de Franceschi; Marin-Morales, Maria Aparecida

2010-09-15

Groundwater contamination with benzene, toluene, ethylbenzene and xylene (BTEX) has been increasing, thus requiring an urgent development of methodologies that are able to remove or minimize the damages these compounds can cause to the environment. The biodegradation process using microorganisms has been regarded as an efficient technology to treat places contaminated with hydrocarbons, since they are able to biotransform and/or biodegrade target pollutants. To prove the efficiency of this process, besides chemical analysis, the use of biological assessments has been indicated. This work identified and selected BTEX-biodegrading microorganisms present in effluents from petroleum refinery, and evaluated the efficiency of microorganism biodegradation process for reducing genotoxic and mutagenic BTEX damage through two test-systems: Allium cepa and hepatoma tissue culture (HTC) cells. Five different non-biodegraded BTEX concentrations were evaluated in relation to biodegraded concentrations. The biodegradation process was performed in a BOD Trak Apparatus (HACH) for 20 days, using microorganisms pre-selected through enrichment. Although the biodegradation usually occurs by a consortium of different microorganisms, the consortium in this study was composed exclusively of five bacteria species and the bacteria Pseudomonas putida was held responsible for the BTEX biodegradation. The chemical analyses showed that BTEX was reduced in the biodegraded concentrations. The results obtained with genotoxicity assays, carried out with both A. cepa and HTC cells, showed that the biodegradation process was able to decrease the genotoxic damages of BTEX. By mutagenic tests, we observed a decrease in damage only to the A. cepa organism. Although no decrease in mutagenicity was observed for HTC cells, no increase of this effect after the biodegradation process was observed either. The application of pre-selected bacteria in biodegradation processes can represent a reliable and effective tool in the treatment of water contaminated with BTEX mixture. Therefore, the raw petroleum refinery effluent might be a source of hydrocarbon-biodegrading microorganisms. Copyright 2010 Elsevier B.V. All rights reserved.

Surface CHEMKIN (Version 4. 0): A Fortran package for analyzing heterogeneous chemical kinetics at a solid-surface---gas-phase interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Coltrin, M.E.; Kee, R.J.; Rupley, F.M.

1991-07-01

Heterogeneous reaction at the interface between a solid surface and adjacent gas is central to many chemical processes. Our purpose for developing the software package SURFACE CHEMKIN was motivated by our need to understand the complex surface chemistry in chemical vapor deposition systems involving silicon, silicon nitride, and gallium arsenide. However, we have developed the approach and implemented the software in a general setting. Thus, we expect it will find use in such diverse applications as chemical vapor deposition, chemical etching, combustion of solids, and catalytic processes, and for a wide range of chemical systems. We believe that it providesmore » a powerful capability to help model, understand, and optimize important industrial and research chemical processes. The SURFACE CHEMKIN software is designed to work in conjunction with the CHEMKIN-2 software, which handles the chemical kinetics in the gas phase. It may also be used in conjunction with the Transport Property Package, which provides information about molecular diffusion. Thus, these three packages provide a foundation on which a user can build applications software to analyze gas-phase and heterogeneous chemistry in flowing systems. These packages should not be considered programs'' in the ordinary sense. That is, they are not designed to accept input, solve a particular problem, and report the answer. Instead, they are software tools intended to help a user work efficiently with large systems of chemical reactions and develop Fortran representations of systems of equations that define a particular problem. It is up the user to solve the problem and interpret the answer. 11 refs., 15 figs., 5 tabs.« less

Copper recovery and gold enrichment from waste printed circuit boards by mediated electrochemical oxidation.

PubMed

Fogarasi, Szabolcs; Imre-Lucaci, Florica; Imre-Lucaci, Arpád; Ilea, Petru

2014-05-30

The present study aims to develop an eco-friendly chemical-electrochemical process for the simultaneous recovery of copper and separation of a gold rich residue from waste printed circuit boards (WPCBs). The process was carried out by employing two different types of reactors coupled in series: a leaching reactor with a perforated rotating drum, for the dissolution of base metals and a divided electrochemical reactor for the regeneration of the leaching solution with the parallel electrowinning of copper. The process performances were evaluated on the basis of the dissolution efficiency, current efficiency and specific energy consumptions. Finally a process scale up was realized taking into consideration the optimal values of the operating parameters. The laboratory scale leaching plant allowed the recovery of a high purity copper deposit (99.04wt.%) at a current efficiency of 63.84% and specific energy consumption of 1.75kWh/kg cooper. The gold concentration in the remained solid residue was 25 times higher than the gold concentration in the initial WPCB samples. Copyright © 2014 Elsevier B.V. All rights reserved.

Catalytic Deoxydehydration of Carbohydrates and Polyols to Chemicals and Fuels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nicholas, Kenneth M.

As the world's fossil fuel resources are being depleted and their costs increase, there is an urgent need to discover and develop new processes for the conversion of renewable, biomass resources into fuels and chemical feedstocks. Research and development in this area have been given high priority by both governmental agencies and industry. To increase the energy content and decrease the boiling points of biomass-derived carbohydrates and polyols to the useful liquid range it is necessary to chemically remove water (dehydrate) and, preferably, oxygen (deoxygenate/reduce). The poly-hydroxylic nature of carbohydrates is attractive for their use as functionalized chemical building blocks,more » but it presents a daunting challenge for their selective conversion to single product chemicals or fuels. The long term, practical objective of this project is to develop catalytic processes for the deoxydehydration (DODH) of biomass-derived carbohydrates and polyols to produce unsaturated alcohols and hydrocarbons of value as chemical feedstocks and fuels; DODH: polyol + reductant --(LMOx catalyst)--> unsaturate + oxidized reductant + H2O. Limited prior studies have established the viability of the DODH process with expensive phosphine reductants and rhenium-catalysts. Initial studies in the PI's laboratory have now demonstrated: 1) the moderately efficient conversion of glycols to olefins by the economical sulfite salts is catalyzed by MeReO3 and Z+ReO4-; 2) effective phosphine-based catalytic DODH of representative glycols to olefins by cheap LMoO2 complexes; and 3) computational studies (with K. Houk, UCLA) have identified several Mo-, W-, and V-oxo complexes that are likely to catalyze glycol DODH. Seeking practically useful DODH reactions of complex polyols and new understanding of the reactivity of polyoxo-metal species with biomass-oxygenates we will employ a two-pronged approach: 1) investigate experimentally the reactivity, both stoichiometric and catalytic, of polyoxo-complexes and practical reductants with representative polyols to establish structure/reactivity relationships and reaction mechanisms; and b) carry out parallel computational studies of these reactions and their mechanisms- both analytical and predictive. Our prioritized action plan is: (1) to optimize the catalytic efficiency, assess the substrate scope/selectivity, and address key mechanistic aspects of Re-catalyzed, sulfite-driven DODH reactions; (2) use the findings from (1), together with computational predictions, to discover new, effective non-precious metal catalysts for sulfite-driven DODH reactions; and 3) to initiate exploratory studies of CO- and H2-driven DODH. Successful execution of this research project will: 1) provide practical chemical processes for the conversion of biomass into useful chemicals and fuels: 2) bring fundamental new understanding of chemical reactions involving metal-oxo catalysts; and 3) provide educational and technical training of future energy scientists.« less

Operational atmospheric modeling system CARIS for effective emergency response associated with hazardous chemical releases in Korea.

PubMed

Kim, Cheol-Hee; Park, Jin-Ho; Park, Cheol-Jin; Na, Jin-Gyun

2004-03-01

The Chemical Accidents Response Information System (CARIS) was developed at the Center for Chemical Safety Management in South Korea in order to track and predict the dispersion of hazardous chemicals in the case of an accident or terrorist attack involving chemical companies. The main objective of CARIS is to facilitate an efficient emergency response to hazardous chemical accidents by rapidly providing key information in the decision-making process. In particular, the atmospheric modeling system implemented in CARIS, which is composed of a real-time numerical weather forecasting model and an air pollution dispersion model, can be used as a tool to forecast concentrations and to provide a wide range of assessments associated with various hazardous chemicals in real time. This article introduces the components of CARIS and describes its operational modeling system. Some examples of the operational modeling system and its use for emergency preparedness are presented and discussed. Finally, this article evaluates the current numerical weather prediction model for Korea.

CheD: chemical database compilation tool, Internet server, and client for SQL servers.

PubMed

Trepalin, S V; Yarkov, A V

2001-01-01

An efficient program, which runs on a personal computer, for the storage, retrieval, and processing of chemical information, is presented, The program can work both as a stand-alone application or in conjunction with a specifically written Web server application or with some standard SQL servers, e.g., Oracle, Interbase, and MS SQL. New types of data fields are introduced, e.g., arrays for spectral information storage, HTML and database links, and user-defined functions. CheD has an open architecture; thus, custom data types, controls, and services may be added. A WWW server application for chemical data retrieval features an easy and user-friendly installation on Windows NT or 95 platforms.

Light-energy conversion in engineered microorganisms.

PubMed

Johnson, Ethan T; Schmidt-Dannert, Claudia

2008-12-01

Increasing interest in renewable resources by the energy and chemical industries has spurred new technologies both to capture solar energy and to develop biologically derived chemical feedstocks and fuels. Advances in molecular biology and metabolic engineering have provided new insights and techniques for increasing biomass and biohydrogen production, and recent efforts in synthetic biology have demonstrated that complex regulatory and metabolic networks can be designed and engineered in microorganisms. Here, we explore how light-driven processes may be incorporated into nonphotosynthetic microbes to boost metabolic capacity for the production of industrial and fine chemicals. Progress towards the introduction of light-driven proton pumping or anoxygenic photosynthesis into Escherichia coli to increase the efficiency of metabolically-engineered biosynthetic pathways is highlighted.

Efficient and selective degradation of polyethylenes into liquid fuels and waxes under mild conditions.

PubMed

Jia, Xiangqing; Qin, Chuan; Friedberger, Tobias; Guan, Zhibin; Huang, Zheng

2016-06-01

Polyethylene (PE) is the largest-volume synthetic polymer, and its chemical inertness makes its degradation by low-energy processes a challenging problem. We report a tandem catalytic cross alkane metathesis method for highly efficient degradation of polyethylenes under mild conditions. With the use of widely available, low-value, short alkanes (for example, petroleum ethers) as cross metathesis partners, different types of polyethylenes with various molecular weights undergo complete conversion into useful liquid fuels and waxes. This method shows excellent selectivity for linear alkane formation, and the degradation product distribution (liquid fuels versus waxes) can be controlled by the catalyst structure and reaction time. In addition, the catalysts are compatible with various polyolefin additives; therefore, common plastic wastes, such as postconsumer polyethylene bottles, bags, and films could be converted into valuable chemical feedstocks without any pretreatment.

Optimality principle for the coupled chemical reactions of ATP synthesis and its molecular interpretation

NASA Astrophysics Data System (ADS)

Nath, Sunil

2018-05-01

Metabolic energy obtained from the coupled chemical reactions of oxidative phosphorylation (OX PHOS) is harnessed in the form of ATP by cells. We experimentally measured thermodynamic forces and fluxes during ATP synthesis, and calculated the thermodynamic efficiency, η and the rate of free energy dissipation, Φ. We show that the OX PHOS system is tuned such that the coupled nonequilibrium processes operate at optimal η. This state does not coincide with the state of minimum Φ but is compatible with maximum Φ under the imposed constraints. Conditions that must hold for species concentration in order to satisfy the principle of optimal efficiency are derived analytically and a molecular explanation based on Nath's torsional mechanism of energy transduction and ATP synthesis is suggested. Differences of the proposed principle with Prigogine's principle are discussed.

Efficient and selective degradation of polyethylenes into liquid fuels and waxes under mild conditions

PubMed Central

Jia, Xiangqing; Qin, Chuan; Friedberger, Tobias; Guan, Zhibin; Huang, Zheng

2016-01-01

Polyethylene (PE) is the largest-volume synthetic polymer, and its chemical inertness makes its degradation by low-energy processes a challenging problem. We report a tandem catalytic cross alkane metathesis method for highly efficient degradation of polyethylenes under mild conditions. With the use of widely available, low-value, short alkanes (for example, petroleum ethers) as cross metathesis partners, different types of polyethylenes with various molecular weights undergo complete conversion into useful liquid fuels and waxes. This method shows excellent selectivity for linear alkane formation, and the degradation product distribution (liquid fuels versus waxes) can be controlled by the catalyst structure and reaction time. In addition, the catalysts are compatible with various polyolefin additives; therefore, common plastic wastes, such as postconsumer polyethylene bottles, bags, and films could be converted into valuable chemical feedstocks without any pretreatment. PMID:27386559

Chemical Engineering in Space

NASA Technical Reports Server (NTRS)

Lobmeyer, Dennis A.; Meneghelli, Barry; Steinrock, Todd (Technical Monitor)

2001-01-01

The aerospace industry has long been perceived as the domain of both physicists and mechanical engineers. This perception has endured even though the primary method of providing the thrust necessary to launch a rocket into space is chemical in nature. The chemical engineering and chemistry personnel behind the systems that provide access to space have labored in the shadows of the physicists and mechanical engineers. As exploration into the cosmos moves farther away from Earth, there is a very distinct need for new chemical processes to help provide the means for advanced space exploration. The state of the art in launch systems uses chemical propulsion systems, primarily liquid hydrogen and liquid oxygen, to provide the energy necessary to achieve orbit. As we move away from Earth, there are additional options for propulsion. Unfortunately, few of these options can compare to the speed or ease of use provided by the chemical propulsion agents. It is with great care and significant cost that gaseous compounds such as hydrogen and oxygen are liquefied and become dense enough to use for rocket fuel. These low-temperature liquids fall within a specialty area known as cryogenics. Cryogenics, the science and art of producing cold operating conditions for use on Earth, in orbit, or on some other nonterrestrial body, has become increasingly important to our ability to travel within our solar system. The production of cryogenic fuels and the long-term storage of these fluids are necessary for travel. As our explorations move farther away from Earth, we need to address how to produce the necessary fuels to make a round-trip. The cost and the size of these expeditions are extreme at best. If we take everything necessary for our survival for the round-trip, we invalidate any chance of travel in the near future. As with the early explorers on Earth, we need to harvest much of our energy and our life support from the celestial bodies. The in situ production of these energy sources is paramount to success. We are currently working on several processes to produce the propellants that would allow us to visit and explore the surface of Mars. The capabilities currently at our disposal for launching and delivering equipment to another planet or satellite dictate that the size and scale of any hardware must be extremely small. The miniaturization of the processes needed to prepare the in situ propellants and life support commodities is a real challenge. Chemical engineers are faced with the prospect of reproducing an entire production facility in miniature so the complex can be lifted into space and delivered to our destination. Another area that does not normally concern chemical engineers is the extreme physical aspects payloads are subjected to with the launch of a spacecraft. Extreme accelerations followed by the sudden loss of nearly all gravitational forces are well outside normal equipment design conditions. If the equipment cannot survive the overall trip, then it obviously will not be able to yield the needed products upon arrival. These launch constraints must be taken into account. Finally, we must consider both the effectiveness and efficiencies of the processes. A facility located on the Moon or Mars will not have an unlimited supply of power or other ancillary utilities. For a Mars expedition, the available electric power is severely limited. The design of both the processes and the equipment must be considered. With these constraints in mind, only the most efficient designs will be viable. Cryogenics, in situ resource utilization, miniaturization, launchability, and power/process efficiencies are only a few of the areas that chemical engineers provide support and expertise for the exploration of space.

Simultaneous biogas upgrading and biochemicals production using anaerobic bacterial mixed cultures.

PubMed

Omar, Basma; Abou-Shanab, Reda; El-Gammal, Maie; Fotidis, Ioannis A; Kougias, Panagiotis G; Zhang, Yifeng; Angelidaki, Irini

2018-05-29

A novel biological process to upgrade biogas was developed and optimised during the current study. In this process, CO 2 in the biogas and externally provided H 2 were fermented under mesophilic conditions to volatile fatty acids (VFAs), which are building blocks of higher-value biofuels. Meanwhile, the biogas was upgraded to biomethane (CH 4 >95%), which can be used as a vehicle fuel or injected into the natural gas grid. To establish an efficient fermentative microbial platform, a thermal (at two different temperatures of 70 °C and 90 °C) and a chemical pretreatment method using 2-bromoethanesulfonate were investigated initially to inhibit methanogenesis and enrich the acetogenic bacterial inoculum. Subsequently, the effect of different H 2 :CO 2 ratios on the efficiency of biogas upgrading and production of VFAs were further explored. The composition of the microbial community under different treatment methods and gas ratios has also been unravelled using 16S rRNA analysis. The chemical treatment of the inoculum had successfully blocked the activity of methanogens and enhanced the VFAs production, especially acetate. The chemical treatment led to a significantly better acetate production (291 mg HAc/L) compared to the thermal treatment. Based upon 16S rRNA gene sequencing, it was found that H 2 -utilizing methanogens were the dominant species in the thermally treated inoculum, while a significantly lower abundance of methanogens was observed in the chemically treated inoculum. The highest biogas content (96% (v/v)) and acetate production were achieved for 2H 2 :1CO 2 ratio (v/v), with Acetoanaerobium noterae, as the dominant homoacetogenic hydrogen scavenger. Results from the present study can pave the way towards more development with respect to microorganisms and conditions for high efficient VFAs production and biogas upgrading. Copyright © 2018 Elsevier Ltd. All rights reserved.

Toward large-scale solar energy systems with peak concentrations of 20,000 suns

NASA Astrophysics Data System (ADS)

Kribus, Abraham

1997-10-01

The heliostat field plays a crucial role in defining the achievable limits for central receiver system efficiency and cost. Increasing system efficiency, thus reducing the reflective area and system cost, can be achieved by increasing the concentration and the receiver temperature. The concentration achievable in central receiver plants, however, is constrained by current heliostat technology and design practices. The factors affecting field performance are surface and tracking errors, astigmatism, shadowing, blocking and dilution. These are geometric factors that can be systematically treated and reduced. We present improvements in collection optics and technology that may boost concentration (up to 20,000 peak), achievable temperature (2,000 K), and efficiency in solar central receiver plants. The increased performance may significantly reduce the cost of solar energy in existing applications, and enable solar access to new ultra-high-temperature applications, such as: future gas turbines approaching 60% combined cycle efficiency; high-temperature thermo-chemical processes; and gas-dynamic processes.

Strategies for Efficient Charge Separation and Transfer in Artificial Photosynthesis of Solar Fuels.

PubMed

Xu, Yuxing; Li, Ailong; Yao, Tingting; Ma, Changtong; Zhang, Xianwen; Shah, Jafar Hussain; Han, Hongxian

2017-11-23

Converting sunlight to solar fuels by artificial photosynthesis is an innovative science and technology for renewable energy. Light harvesting, photogenerated charge separation and transfer (CST), and catalytic reactions are the three primary steps in the processes involved in the conversion of solar energy to chemical energy (SE-CE). Among the processes, CST is the key "energy pump and delivery" step in determining the overall solar-energy conversion efficiency. Efficient CST is always high priority in designing and assembling artificial photosynthesis systems for solar-fuel production. This Review not only introduces the fundamental strategies for CST but also the combinatory application of these strategies to five types of the most-investigated semiconductor-based artificial photosynthesis systems: particulate, Z-scheme, hybrid, photoelectrochemical, and photovoltaics-assisted systems. We show that artificial photosynthesis systems with high SE-CE efficiency can be rationally designed and constructed through combinatory application of these strategies, setting a promising blueprint for the future of solar fuels. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical Fabrication Used to Produce Thin-Film Materials for High Power-to- Weight-Ratio Space Photovoltaic Arrays

NASA Technical Reports Server (NTRS)

Hepp, Aloysius F.; Rybicki, George C.; Raffaelle, Ryne P.; Harris, Jerry D.; Hehemann, David G.; Junek, William; Gorse, Joseph; Thompson, Tracy L.; Hollingsworth, Jennifer A.; Buhro, William E.

2000-01-01

The key to achieving high specific power (watts per kilogram) space solar arrays is the development of a high-efficiency, thin-film solar cell that can be fabricated directly on a flexible, lightweight, space-qualified durable substrate such as Kapton (DuPont) or other polyimide or suitable polymer film. Cell efficiencies approaching 20 percent at AM0 (air mass zero) are required. Current thin-film cell fabrication approaches are limited by either (1) the ultimate efficiency that can be achieved with the device material and structure or (2) the requirement for high-temperature deposition processes that are incompatible with all presently known flexible polyimide or other polymer substrate materials. Cell fabrication processes must be developed that will produce high-efficiency cells at temperatures below 400 degrees Celsius, and preferably below 300 degress Celsius to minimize the problems associated with the difference between the coefficients of thermal expansion of the substrate and thin-film solar cell and/or the decomposition of the substrate.

Microorganisms in inorganic chemical analysis.

PubMed

Godlewska-Zyłkiewicz, Beata

2006-01-01

There are innumerable strains of microbes (bacteria, yeast and fungi) that degrade or transform chemicals and compounds into simpler, safer or less toxic substances. These bioprocesses have been used for centuries in the treatment of municipal wastes, in wine, cheese and bread making, and in bioleaching and metal recovery processes. Recent literature shows that microorganisms can be also used as effective sorbents for solid phase extraction procedures. This review reveals that fundamental nonanalytical studies on the parameters and conditions of biosorption processes and on metal-biomass interactions often result in efficient analytical procedures and biotechnological applications. Some selected examples illustrate the latest developments in the biosorption of metals by microbial biomass, which have opened the door to the application of microorganisms to analyte preconcentration, matrix separation and speciation analysis.

Consistent Chemical Mechanism from Collaborative Data Processing

DOE PAGES

Slavinskaya, Nadezda; Starcke, Jan-Hendrik; Abbasi, Mehdi; ...

2016-04-01

Numerical tool of Process Informatics Model (PrIMe) is mathematically rigorous and numerically efficient approach for analysis and optimization of chemical systems. It handles heterogeneous data and is scalable to a large number of parameters. The Boundto-Bound Data Collaboration module of the automated data-centric infrastructure of PrIMe was used for the systematic uncertainty and data consistency analyses of the H 2/CO reaction model (73/17) and 94 experimental targets (ignition delay times). The empirical rule for evaluation of the shock tube experimental data is proposed. The initial results demonstrate clear benefits of the PrIMe methods for an evaluation of the kinetic datamore » quality and data consistency and for developing predictive kinetic models.« less

Plasma for electrification of chemical industry: a case study on CO2 reduction

NASA Astrophysics Data System (ADS)

van Rooij, G. J.; Akse, H. N.; Bongers, W. A.; van de Sanden, M. C. M.

2018-01-01

Significant growth of the share of (intermittent) renewable power in the chemical industry is imperative to meet increasingly stricter limits on CO2 exhaust that are being implemented within Europe. This paper aims to evaluate the potential of a plasma process that converts input CO2 into a pure stream of CO to aid in renewable energy penetration in this sector. A realistic process design is constructed to serve as a basis for an economical analysis. The manufacturing cost price of CO is estimated at 1.2 kUS ton-1 CO. A sensitivity analysis shows that separation is the dominant cost factor, so that improving conversion is currently more effective to lower the price than e.g. energy efficiency.

Decontamination of Nuclear Liquid Wastes Status of CEA and AREVA R and D: Application to Fukushima Waste Waters - 12312

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fournel, B.; Barre, Y.; Lepeytre, C.

2012-07-01

Liquid wastes decontamination processes are mainly based on two techniques: Bulk processes and the so called Cartridges processes. The first technique has been developed for the French nuclear fuel reprocessing industry since the 60's in Marcoule and La Hague. It is a proven and mature technology which has been successfully and quickly implemented by AREVA at Fukushima site for the processing of contaminated waters. The second technique, involving cartridges processes, offers new opportunities for the use of innovative adsorbents. The AREVA process developed for Fukushima and some results obtained on site will be presented as well as laboratory scale resultsmore » obtained in CEA laboratories. Examples of new adsorbents development for liquid wastes decontamination are also given. A chemical process unit based on co-precipitation technique has been successfully and quickly implemented by AREVA at Fukushima site for the processing of contaminated waters. The asset of this technique is its ability to process large volumes in a continuous mode. Several chemical products can be used to address specific radioelements such as: Cs, Sr, Ru. Its drawback is the production of sludge (about 1% in volume of initial liquid volume). CEA developed strategies to model the co-precipitation phenomena in order to firstly minimize the quantity of added chemical reactants and secondly, minimize the size of co-precipitation units. We are on the way to design compact units that could be mobilized very quickly and efficiently in case of an accidental situation. Addressing the problem of sludge conditioning, cementation appears to be a very attractive solution. Fukushima accident has focused attention on optimizations that should be taken into account in future studies: - To better take account for non-typical aqueous matrixes like seawater; - To enlarge the spectrum of radioelements that can be efficiently processed and especially short lives radioelements that are usually less present in standard effluents resulting from nuclear activities; - To develop reversible solid adsorbents for cartridge-type applications in order to minimize wastes. (authors)« less

Feasibility basis for use of new solid household waste processing equipment

NASA Astrophysics Data System (ADS)

Vertakova, Y. V.; Zvyagintsev, G. L.; Babich, T. N.; Polozhentseva, Y. S.

2017-10-01

Economic efficiency assessment of innovative organizational project of solid household waste processing enterprise (SHW) is given. A distinctive feature of this project is new mining and chemical technology use of waste depolymerization. The proved feature is fuel-resource production in portion modules of tubular type. They are patented and approved under laboratory conditions. The main ways of SHW processing in the world including Russia are described. Advantages and disadvantages are revealed. Comparative analysis is carried out. Technology prioritization is a result of this analysis. During organization of such enterprise, it was proved that not only SHW processing is a result of its functioning. The other result is environmentally friendly production using secondary raw materials. These products can be sold and can have bring income. Main investment and current expenses necessary for the offered project implementation are defined. This allows making economic assessment of innovative enterprise efficiency.

Adsorption of aluminum and lead from wastewater by chitosan-tannic acid modified biopolymers: Isotherms, kinetics, thermodynamics and process mechanism.

PubMed

Badawi, M A; Negm, N A; Abou Kana, M T H; Hefni, H H; Abdel Moneem, M M

2017-06-01

Chitosan was reacted by tannic acid to obtain three modified chitosan biopolymer. Their chemical structures were characterized by FTIR and elemental analysis. The prepared biopolymers were used to adsorb Al(III) and Pb(II) metal ions from industrial wastewater. The factors affecting the adsorption process were biosorbent amount, initial concentration of metal ion and pH of the medium. The adsorption efficiency increased considerably with the increase of the biosorbent amount and pH of the medium. The adsorption process of biosorbent on different metal ions was fitted by Freundlich adsorption model. The adsorption kinetics was followed Pseudo-second-order kinetic model. The adsorption process occurred according to diffusion mechanism which was confirmed by the interparticle diffusion model. The modified biopolymers were efficient biosorbents for removal of Pb(II) and Al(III) metal ions from the medium. Copyright © 2017 Elsevier B.V. All rights reserved.

Effect of ultrasonic frequency on degradation of methylene blue in the presence of particle

NASA Astrophysics Data System (ADS)

Kobayashi, Daisuke; Suzuki, Atsushi; Takahashi, Tomoki; Matsumoto, Hideyuki; Kuroda, Chiaki; Otake, Katsuto; Shono, Atsushi

2012-05-01

Techniques for the degradation of hazardous organic compounds have been investigated such as solvent extraction, incineration, chemical dehalogenation and biodegradation, etc. Ultrasound has been found to be an attractive advanced technology for the degradation of hazardous organic compounds in water. In addition, the sonochemical reaction is enhanced by particle addition. However, the enhancement mechanism of particle addition has not been investigated well, because ultrasound enhances not only chemical reaction but also mass transfer. In this study, the degradation process of methylene blue as the model hazardous organic compound by ultrasonic irradiation was investigated. The effects of ultrasonic irradiation condition on degradation rate were investigated. The effect of ultrasonic frequency on improvement of degradation reaction by particle addition was also investigated. In addition, the effects of ultrasonic frequency on ultrasonic power and chemical efficiency were investigated by calorimetry and SE value. The degradation rate constants were estimated from the results of temporal change of the concentration of methylene blue assuming first order kinetics for the decomposition. There was a linear relation in the degradation rate and the ultrasonic power. In addition, the degradation rates at 127 kHz and 490 kHz were much larger than that at 22.8 kHz. The effect of ultrasonic frequency on sonochemical efficiency has been investigated, and the sonochemical effects in the range of frequency of 200 - 500 kHz are 10 times larger than those in the lower or higher frequency regions. Therefore, the degradation rate of methylene blue was considered to estimate using sonochemical efficiency. The degradation process of methylene blue was intensified by particle addition, and the degradation rate increased with increasing amount of particle. On the other hand, the enhancement of degradation rate by particle addition was influenced by both ultrasonic frequency and species of particle. The relationship between particle size and resonance diameter of ultrasound is considered to influence the enhancement of ultrasonic degradation process.

High-throughput heterogeneous catalyst research

NASA Astrophysics Data System (ADS)

Turner, Howard W.; Volpe, Anthony F., Jr.; Weinberg, W. H.

2009-06-01

With the discovery of abundant and low cost crude oil in the early 1900's came the need to create efficient conversion processes to produce low cost fuels and basic chemicals. Enormous investment over the last century has led to the development of a set of highly efficient catalytic processes which define the modern oil refinery and which produce most of the raw materials and fuels used in modern society. Process evolution and development has led to a refining infrastructure that is both dominated and enabled by modern heterogeneous catalyst technologies. Refineries and chemical manufacturers are currently under intense pressure to improve efficiency, adapt to increasingly disadvantaged feedstocks including biomass, lower their environmental footprint, and continue to deliver their products at low cost. This pressure creates a demand for new and more robust catalyst systems and processes that can accommodate them. Traditional methods of catalyst synthesis and testing are slow and inefficient, particularly in heterogeneous systems where the structure of the active sites is typically complex and the reaction mechanism is at best ill-defined. While theoretical modeling and a growing understanding of fundamental surface science help guide the chemist in designing and synthesizing targets, even in the most well understood areas of catalysis, the parameter space that one needs to explore experimentally is vast. The result is that the chemist using traditional methods must navigate a complex and unpredictable diversity space with a limited data set to make discoveries or to optimize known systems. We describe here a mature set of synthesis and screening technologies that together form a workflow that breaks this traditional paradigm and allows for rapid and efficient heterogeneous catalyst discovery and optimization. We exemplify the power of these new technologies by describing their use in the development and commercialization of a novel catalyst for the hydrodesulfurization of gasoline distillates having 50% more selectivity and 30% more activity for sulfur removal than the state-of-the-art commercial reference.

Efficiency of combined process of ozone and bio-filtration in the treatment of secondary effluent.

PubMed

Tripathi, Smriti; Tripathi, B D

2011-07-01

The present work was aimed at studying the efficiency of the combined process of biofiltration with ozonation to improve the quality of secondary effluent. The secondary effluent from the Dinapur Sewage Treatment Plant Varanasi, India was used in this work. The process of biofiltration with the plant species of Eichornia crassipes and Lemna minor, at a flow rate of 262 ml min(-1) and plant density of 30 mg L(-1) for 48 h, in combination with the process of ozonation with ozone dose of 10 mg L(-1) and contact time of 5 min was applied. Results revealed that combined process was statistically most suitable for the highest degradation of physico-chemical and microbial parameters with improving BDOC value. The biofiltration process is able to remove highest percentage of toxic heavy metals from the secondary effluent without production of toxicity. This technique is highly recommendable for tropical wastewater where sewage is mixed with industrial effluents. Copyright © 2011 Elsevier Ltd. All rights reserved.

Non-Markovian quantum processes: Complete framework and efficient characterization

NASA Astrophysics Data System (ADS)

Pollock, Felix A.; Rodríguez-Rosario, César; Frauenheim, Thomas; Paternostro, Mauro; Modi, Kavan

2018-01-01

Currently, there is no systematic way to describe a quantum process with memory solely in terms of experimentally accessible quantities. However, recent technological advances mean we have control over systems at scales where memory effects are non-negligible. The lack of such an operational description has hindered advances in understanding physical, chemical, and biological processes, where often unjustified theoretical assumptions are made to render a dynamical description tractable. This has led to theories plagued with unphysical results and no consensus on what a quantum Markov (memoryless) process is. Here, we develop a universal framework to characterize arbitrary non-Markovian quantum processes. We show how a multitime non-Markovian process can be reconstructed experimentally, and that it has a natural representation as a many-body quantum state, where temporal correlations are mapped to spatial ones. Moreover, this state is expected to have an efficient matrix-product-operator form in many cases. Our framework constitutes a systematic tool for the effective description of memory-bearing open-system evolutions.

Advanced purification of petroleum refinery wastewater by catalytic vacuum distillation.

PubMed

Yan, Long; Ma, Hongzhu; Wang, Bo; Mao, Wei; Chen, Yashao

2010-06-15

In our work, a new process, catalytic vacuum distillation (CVD) was utilized for purification of petroleum refinery wastewater that was characteristic of high chemical oxygen demand (COD) and salinity. Moreover, various common promoters, like FeCl(3), kaolin, H(2)SO(4) and NaOH were investigated to improve the purification efficiency of CVD. Here, the purification efficiency was estimated by COD testing, electrolytic conductivity, UV-vis spectrum, gas chromatography-mass spectrometry (GC-MS) and pH value. The results showed that NaOH promoted CVD displayed higher efficiency in purification of refinery wastewater than other systems, where the pellucid effluents with low salinity and high COD removal efficiency (99%) were obtained after treatment, and the corresponding pH values of effluents varied from 7 to 9. Furthermore, environment estimation was also tested and the results showed that the effluent had no influence on plant growth. Thus, based on satisfied removal efficiency of COD and salinity achieved simultaneously, NaOH promoted CVD process is an effective approach to purify petroleum refinery wastewater. Copyright 2010 Elsevier B.V. All rights reserved.

Fabrication of 20.19% Efficient Single-Crystalline Silicon Solar Cell with Inverted Pyramid Microstructure.

PubMed

Zhang, Chunyang; Chen, Lingzhi; Zhu, Yingjie; Guan, Zisheng

2018-04-03

This paper reports inverted pyramid microstructure-based single-crystalline silicon (sc-Si) solar cell with a conversion efficiency up to 20.19% in standard size of 156.75 × 156.75 mm 2 . The inverted pyramid microstructures were fabricated jointly by metal-assisted chemical etching process (MACE) with ultra-low concentration of silver ions and optimized alkaline anisotropic texturing process. And the inverted pyramid sizes were controlled by changing the parameters in both MACE and alkaline anisotropic texturing. Regarding passivation efficiency, the textured sc-Si with normal reflectivity of 9.2% and inverted pyramid size of 1 μm was used to fabricate solar cells. The best batch of solar cells showed a 0.19% higher of conversion efficiency and a 0.22 mA cm -2 improvement in short-circuit current density, and the excellent photoelectric property surpasses that of the same structure solar cell reported before. This technology shows great potential to be an alternative for large-scale production of high efficient sc-Si solar cells in the future.

Hydrogen as the solar energy translator. [in photochemical and photovoltaic processes

NASA Technical Reports Server (NTRS)

Kelley, J. H.

1979-01-01

Many concepts are being investigated to convert sunlight to workable energy forms with emphasis on electricity and thermal energy. The electrical alternatives include direct conversion of photons to electricity via photovoltaic solar cells and solar/thermal production of electricity via heat-energy cycles. Solar cells, when commercialized, are expected to have efficiencies of about 12 to 14 percent. The cells would be active about eight hours per day. However, solar-operated water-splitting process research, initiated through JPL, shows promise for direct production of hydrogen from sunlight with efficiencies of up to 35 to 40 percent. The hydrogen, a valuable commodity in itself, can also serve as a storable energy form, easily and efficiently converted to electricity by fuel cells and other advanced-technology devices on a 24-hour basis or on demand with an overall efficiency of 25 to 30 percent. Thus, hydrogen serves as the fundamental translator of energy from its solar form to electrical form more effectively, and possibly more efficiently, than direct conversion. Hydrogen also can produce other chemical energy forms using solar energy.

Round-the-clock power supply and a sustainable economy via synergistic integration of solar thermal power and hydrogen processes

PubMed Central

Gençer, Emre; Mallapragada, Dharik S.; Maréchal, François; Tawarmalani, Mohit; Agrawal, Rakesh

2015-01-01

We introduce a paradigm—“hydricity”—that involves the coproduction of hydrogen and electricity from solar thermal energy and their judicious use to enable a sustainable economy. We identify and implement synergistic integrations while improving each of the two individual processes. When the proposed integrated process is operated in a standalone, solely power production mode, the resulting solar water power cycle can generate electricity with unprecedented efficiencies of 40–46%. Similarly, in standalone hydrogen mode, pressurized hydrogen is produced at efficiencies approaching ∼50%. In the coproduction mode, the coproduced hydrogen is stored for uninterrupted solar power production. When sunlight is unavailable, we envision that the stored hydrogen is used in a “turbine”-based hydrogen water power (H2WP) cycle with the calculated hydrogen-to-electricity efficiency of 65–70%, which is comparable to the fuel cell efficiencies. The H2WP cycle uses much of the same equipment as the solar water power cycle, reducing capital outlays. The overall sun-to-electricity efficiency of the hydricity process, averaged over a 24-h cycle, is shown to approach ∼35%, which is nearly the efficiency attained by using the best multijunction photovoltaic cells along with batteries. In comparison, our proposed process has the following advantages: (i) It stores energy thermochemically with a two- to threefold higher density, (ii) coproduced hydrogen has alternate uses in transportation/chemical/petrochemical industries, and (iii) unlike batteries, the stored energy does not discharge over time and the storage medium does not degrade with repeated uses. PMID:26668380

Round-the-clock power supply and a sustainable economy via synergistic integration of solar thermal power and hydrogen processes.

PubMed

Gençer, Emre; Mallapragada, Dharik S; Maréchal, François; Tawarmalani, Mohit; Agrawal, Rakesh

2015-12-29

We introduce a paradigm-"hydricity"-that involves the coproduction of hydrogen and electricity from solar thermal energy and their judicious use to enable a sustainable economy. We identify and implement synergistic integrations while improving each of the two individual processes. When the proposed integrated process is operated in a standalone, solely power production mode, the resulting solar water power cycle can generate electricity with unprecedented efficiencies of 40-46%. Similarly, in standalone hydrogen mode, pressurized hydrogen is produced at efficiencies approaching ∼50%. In the coproduction mode, the coproduced hydrogen is stored for uninterrupted solar power production. When sunlight is unavailable, we envision that the stored hydrogen is used in a "turbine"-based hydrogen water power (H2WP) cycle with the calculated hydrogen-to-electricity efficiency of 65-70%, which is comparable to the fuel cell efficiencies. The H2WP cycle uses much of the same equipment as the solar water power cycle, reducing capital outlays. The overall sun-to-electricity efficiency of the hydricity process, averaged over a 24-h cycle, is shown to approach ∼35%, which is nearly the efficiency attained by using the best multijunction photovoltaic cells along with batteries. In comparison, our proposed process has the following advantages: (i) It stores energy thermochemically with a two- to threefold higher density, (ii) coproduced hydrogen has alternate uses in transportation/chemical/petrochemical industries, and (iii) unlike batteries, the stored energy does not discharge over time and the storage medium does not degrade with repeated uses.

Hydrothermal Gasification for Waste to Energy

NASA Astrophysics Data System (ADS)

Epps, Brenden; Laser, Mark; Choo, Yeunun

2014-11-01

Hydrothermal gasification is a promising technology for harvesting energy from waste streams. Applications range from straightforward waste-to-energy conversion (e.g. municipal waste processing, industrial waste processing), to water purification (e.g. oil spill cleanup, wastewater treatment), to biofuel energy systems (e.g. using algae as feedstock). Products of the gasification process are electricity, bottled syngas (H2 + CO), sequestered CO2, clean water, and inorganic solids; further chemical reactions can be used to create biofuels such as ethanol and biodiesel. We present a comparison of gasification system architectures, focusing on efficiency and economic performance metrics. Various system architectures are modeled computationally, using a model developed by the coauthors. The physical model tracks the mass of each chemical species, as well as energy conversions and transfers throughout the gasification process. The generic system model includes the feedstock, gasification reactor, heat recovery system, pressure reducing mechanical expanders, and electricity generation system. Sensitivity analysis of system performance to various process parameters is presented. A discussion of the key technological barriers and necessary innovations is also presented.

Determination of the acute toxicities of physicochemical pretreatment and advanced oxidation processes applied to dairy effluents on activated sludge.

PubMed

Sivrioğlu, Özge; Yonar, Taner

2015-04-01

In this study, the acute toxicities of raw, physicochemical pre-treated, ozonated, and Fenton reagent applied samples of dairy wastewater toward activated sludge microorganisms, evaluated using the International Organization for Standardization's respiration inhibition test (ISO 8192), are presented. Five-day biological oxygen demand (BOD5) was measured to determine the biodegradability of physicochemical treatment, ozonation, Fenton oxidation or no treatment (raw samples) of dairy wastewater. Chemical pretreatment positively affected biodegradability, and the inhibition exhibited by activated sludge was removed to a considerable degree. Ozonation and the Fenton process exhibited good chemical oxygen demand removal (61%) and removal of toxins. Low sludge production was observed for the Fenton process applied to dairy effluents. We did not determine the inhibitory effect of the Fenton-process on the activated sludge mixture. The pollutant-removal efficiencies of the applied processes and their associated operating costs were determined. Copyright © 2015 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Comparison of coagulation, ozone and ferrate treatment processes for color, COD and toxicity removal from complex textile wastewater.

PubMed

Malik, Sameena N; Ghosh, Prakash C; Vaidya, Atul N; Waindeskar, Vishal; Das, Sera; Mudliar, Sandeep N

2017-09-01

In this study, the comparative performance of coagulation, ozone, coagulation + ozone + coagulation and potassium ferrate processes to remove chemical oxygen demand (COD), color, and toxicity from a highly polluted textile wastewater were evaluated. Experimental results showed that ferrate alone had no effect on COD, color and toxicity removal. Whereas, in combination with FeSO 4 , it has shown the highest removal efficiency of 96.5%, 83% and 75% for respective parameters at the optimal dose of 40 mgL -1 + 3 ml FeSO 4 (1 M) in comparison with other processes. A seed germination test using seeds of Spinach (Spinacia oleracea) also indicated that ferrate was more effective in removing toxicity from contaminated textile wastewater. Potassium ferrate also produces less sludge with maximum contaminant removal, thereby making the process more economically feasible. Fourier transform infrared spectroscopy (FTIR) analysis also shows the cleavage of the chromophore group and degradation of textile wastewater during chemical and oxidation treatment processes.

Efficient planar Sb2S3 solar cells using a low-temperature solution-processed tin oxide electron conductor.

PubMed

Lei, Hongwei; Yang, Guang; Guo, Yaxiong; Xiong, Liangbin; Qin, Pingli; Dai, Xin; Zheng, Xiaolu; Ke, Weijun; Tao, Hong; Chen, Zhao; Li, Borui; Fang, Guojia

2016-06-28

Efficient planar antimony sulfide (Sb2S3) heterojunction solar cells have been made using chemical bath deposited (CBD) Sb2S3 as the absorber, low-temperature solution-processed tin oxide (SnO2) as the electron conductor and poly (3-hexylthiophene) (P3HT) as the hole conductor. A solar conversion efficiency of 2.8% was obtained at 1 sun illumination using a planar device consisting of F-doped SnO2 substrate/SnO2/CBD-Sb2S3/P3HT/Au, whereas the solar cells based on a titanium dioxide (TiO2) electron conductor exhibited a power conversion efficiency of 1.9%. Compared with conventional Sb2S3 sensitized solar cells, the high-temperature processed mesoscopic TiO2 scaffold is no longer needed. More importantly, a low-temperature solution-processed SnO2 layer was introduced for electron transportation to substitute the high-temperature sintered dense blocking TiO2 layer. Our planar solar cells not only have simple geometry with fewer steps to fabricate but also show enhanced performance. The higher efficiency of planar Sb2S3 solar cell devices based on a SnO2 electron conductor is attributed to their high transparency, uniform surface, efficient electron transport properties of SnO2, suitable energy band alignment, and reduced recombination at the interface of SnO2/Sb2S3.

Industrial bioconversion of renewable resources as an alternative to conventional chemistry.

PubMed

Willke, Th; Vorlop, K-D

2004-12-01

There are numerous possibilities for replacing chemical techniques with biotechnological methods based on renewable resources. The potential of biotechnology (products, technologies, metabolic pathways) is for the most part well known. Often the costs are still the problem. Biotechnological advances have the best chances for replacing some fine chemicals. While the raw material costs are less of a consideration here, the environmental benefit is huge, as chemical-technical processes often produce a wide range of undesirable/harmful by-products or waste. In the case of bulk chemicals (<1 US dollar/kg) the product price is affected mainly by raw material costs. As long as fossil raw materials are still relatively inexpensive, alternatives based on renewable resources cannot establish themselves. Residues and waste, which are available even at no cost in some cases, are an exception. The introduction of new technologies for the efficient use of such raw materials is currently being promoted. The utilisation of residual wood, plant parts, waste fat, and crude glycerol, for example, provides great potential. For industrial chemicals (2-4 US dollars/kg), process and recovery costs play a greater role. Here, innovative production technologies and product recovery techniques (e.g. on-line product separation) can increase competitiveness.

Validating Signs and Symptoms From An Actual Mass Casualty Incident to Characterize An Irritant Gas Syndrome Agent (IGSA) Exposure: A First Step in The Development of a Novel IGSA Triage Algorithm.

PubMed

Culley, Joan M; Richter, Jane; Donevant, Sara; Tavakoli, Abbas; Craig, Jean; DiNardi, Salvatore

2017-07-01

• Chemical exposures daily pose a significant threat to life. Rapid assessment by first responders/emergency nurses is required to reduce death and disability. Currently, no informatics tools for Irritant Gas Syndrome Agents (IGSA) exposures exist to process victims efficiently, continuously monitor for latent signs/symptoms, or make triage recommendations. • This study uses actual patient data from a chemical incident to characterize and validate signs/symptoms of an IGSA Syndrome. Validating signs/symptoms is the first step in developing new emergency department informatics tools with the potential to revolutionize the process by which emergency nurses manage triage victims of chemical incidents. Chemical exposures can pose a significant threat to life. Rapid assessment by first responders/emergency nurses is required to reduce death and disability. Currently, no informatics tools for irritant gas syndrome agents (IGSA) exposures exist to process victims efficiently, continuously monitor for latent signs/symptoms, or make triage recommendations. This study describes the first step in developing ED informatics tools for chemical incidents: validation of signs/symptoms that characterize an IGSA syndrome. Data abstracted from 146 patients treated for chlorine exposure in one emergency department during a 2005 train derailment and 152 patients not exposed to chlorine (a comparison group) were mapped to 93 possible signs/symptoms within 2 tools (WISER and CHEMM-IST) designed to assist emergency responders/emergency nurses with managing hazardous material exposures. Inferential statistics (χ 2 /Fisher's exact test) and diagnostics tests were used to examine mapped signs/symptoms of persons who were and were not exposed to chlorine. Three clusters of signs/symptoms are statistically associated with an IGSA syndrome (P < .01): respiratory (shortness of breath, wheezing, coughing, and choking); chest discomfort (tightness, pain, and burning), and eye, nose and/or throat (pain, irritation, and burning). The syndrome requires the presence of signs/symptoms from at least 2 of these clusters. The latency period must also be considered for exposed/potentially exposed persons. This study uses actual patient data from a chemical incident to characterize and validate signs/symptoms of an IGSA syndrome. Validating signs/symptoms is the first step in developing new ED informatics tools with the potential to revolutionize the process by which emergency nurses manage triage victims of chemical incidents. Copyright © 2017 Emergency Nurses Association. Published by Elsevier Inc. All rights reserved.

Pilot scale feasibility study for in-situ chemical oxidation using H2O2 solution conjugated with biodegradation to remediate a diesel contaminated site.

PubMed

Kim, Insu; Lee, Minhee

2012-11-30

A pilot scale test for a process combining in-situ chemical oxidation using H(2)O(2) solution with biodegradation was performed to remove TPH from a diesel contaminated military site. In batch experiments, when 20% H(2)O(2) solution was used for TPH contaminated soil, TPH removal efficiency was 63.5%. Batch experiments investigating biodegradation by adding indigenous microorganisms in pre-H(2)O(2)-treated soil were also performed, and TPH removal efficiency of biodegradation was 48.5%, showing an improvement of 19.4% by biodegradation even after chemical oxidation. For a pilot scale feasibility test, a site contaminated with diesel (2.5 m × 2.7 m × 1 m) in Korea was selected, and five injection wells and one extraction well were installed in the site. After 0.3 pore volumes of 17.5% H(2)O(2) solution flushing for 15 days, TPH removal efficiency of the site was 51.5%. Seven days after the H(2)O(2) solution flushing was finished, a mixed indigenous microorganism cultured solution (43 L) was injected into the wells two times. After the injection of the cultured solution, the average concentration of TPH in the site decreased to 777 mg/kg, showing that an additional 19.6% of TPH was removed by biodegradation (total TPH removal efficiency: 71.1%). Copyright © 2012 Elsevier B.V. All rights reserved.

Evaluation of efficiency of aircraft liquid waste treatment and identification of daily inspection indices: a case study in Changchun, China.

PubMed

Xu, Jianling; Yang, Jiaqi; Zhao, Nan; Sheng, Lianxi; Zhao, Yuanhui; Tang, Zhanhui

2013-07-01

Evaluation of the efficiency of aircraft liquid waste treatment has previously been conducted to prevent pollution of the environment. The current study aimed to provide a set of practical methods for efficient airport sanitary supervision. Aircraft liquid waste was collected at Longjia International Airport, Changchun from multiple flights. The efficiency of liquid waste treatment as well as the water quality of the wastewater processed via a second-stage wastewater facility were examined by measuring a number of physical, chemical, and biological indices. Our results indicated that treatment solely via resolvable sanitizing liquid was not sufficient. Although the contents of first-class pollutants all met the requirements of the standard criteria, the contents of a number of second-class pollutants did not satisfy these criteria. However, after further treatment via a second-stage wastewater facility installed at the airport, all indices reached second-grade requirements of the discharge standard. We suggest that daily inspection and quarantine indices at airports should include the suspension content, biological oxygen demands after 5 days, chemical oxygen demand total organic carbon content, amino nitrogen content, total phosphorous content, and the level of fecal coliforms.

Efficiency of muscle contraction. The chemimechanic equilibrium

NASA Astrophysics Data System (ADS)

Becker, E. W.

1991-10-01

Although muscle contraction is one of the principal themes of biological research, the exact mechanism whereby the chemical free energy of ATP hydrolysis is converted into mechanical work remains elusive. The high thermodynamic efficiency of the process, above all, is difficult to explain on the basis of present theories. A model of the elementary effect in muscle contraction is proposed which aims at high thermodynamic efficiency based on an approximate equilibrium between chemical and mechanical forces throughout the transfer of free energy. The experimental results described in the literature support the assumption that chemimechanic equilibrium is approximated by a free energy transfer system based on the binding of divalent metal ions to the myosin light chains. Muscle contraction demonstrated without light chains is expected to proceed with a considerably lower efficiency. Free energy transfer systems based on the binding of ions to proteins seem to be widespread in the cell. By establishing an approximate chemimechanic equilibrium, they could facilitate biological reactions considerably and save large amounts of free energy. The concept of chemimechanic equilibrium is seen as a supplementation to the concept of chemiosmotic equilibrium introduced for the membrane transport by P. Mitchell.

Converting Panax ginseng DNA and chemical fingerprints into two-dimensional barcode.

PubMed

Cai, Yong; Li, Peng; Li, Xi-Wen; Zhao, Jing; Chen, Hai; Yang, Qing; Hu, Hao

2017-07-01

In this study, we investigated how to convert the Panax ginseng DNA sequence code and chemical fingerprints into a two-dimensional code. In order to improve the compression efficiency, GATC2Bytes and digital merger compression algorithms are proposed. HPLC chemical fingerprint data of 10 groups of P. ginseng from Northeast China and the internal transcribed spacer 2 (ITS2) sequence code as the DNA sequence code were ready for conversion. In order to convert such data into a two-dimensional code, the following six steps were performed: First, the chemical fingerprint characteristic data sets were obtained through the inflection filtering algorithm. Second, precompression processing of such data sets is undertaken. Third, precompression processing was undertaken with the P. ginseng DNA (ITS2) sequence codes. Fourth, the precompressed chemical fingerprint data and the DNA (ITS2) sequence code were combined in accordance with the set data format. Such combined data can be compressed by Zlib, an open source data compression algorithm. Finally, the compressed data generated a two-dimensional code called a quick response code (QR code). Through the abovementioned converting process, it can be found that the number of bytes needed for storing P. ginseng chemical fingerprints and its DNA (ITS2) sequence code can be greatly reduced. After GTCA2Bytes algorithm processing, the ITS2 compression rate reaches 75% and the chemical fingerprint compression rate exceeds 99.65% via filtration and digital merger compression algorithm processing. Therefore, the overall compression ratio even exceeds 99.36%. The capacity of the formed QR code is around 0.5k, which can easily and successfully be read and identified by any smartphone. P. ginseng chemical fingerprints and its DNA (ITS2) sequence code can form a QR code after data processing, and therefore the QR code can be a perfect carrier of the authenticity and quality of P. ginseng information. This study provides a theoretical basis for the development of a quality traceability system of traditional Chinese medicine based on a two-dimensional code.

The tailored inner space of TiO2 electrodes via a 30 second wet etching process: high efficiency solid-state perovskite solar cells.

PubMed

Kwon, Jeong; Kim, Sung June; Park, Jong Hyoek

2015-06-28

We fabricated a perovskite solar cell with enhanced device efficiency based on the tailored inner space of the TiO2 electrode by utilizing a very short chemical etching process. It was found that the mesoporous TiO2 photoanode treated with a HF solution exhibited remarkably enhanced power conversion efficiencies under simulated AM 1.5G one sun illumination. The controlled inner space and morphology of the etched TiO2 electrode provide an optimized space for perovskite sensitizers and infiltration of a hole transport layer without sacrificing its original electron transport ability, which resulted in higher JSC, FF and VOC values. This simple platform provides new opportunities for tailoring the microstructure of the TiO2 electrode and has great potential in various optoelectronic devices utilizing metal oxide nanostructures.

Energy-efficient biomass processing with pulsed electric fields for bioeconomy and sustainable development.

PubMed

Golberg, Alexander; Sack, Martin; Teissie, Justin; Pataro, Gianpiero; Pliquett, Uwe; Saulis, Gintautas; Stefan, Töpfl; Miklavcic, Damijan; Vorobiev, Eugene; Frey, Wolfgang

2016-01-01

Fossil resources-free sustainable development can be achieved through a transition to bioeconomy, an economy based on sustainable biomass-derived food, feed, chemicals, materials, and fuels. However, the transition to bioeconomy requires development of new energy-efficient technologies and processes to manipulate biomass feed stocks and their conversion into useful products, a collective term for which is biorefinery. One of the technological platforms that will enable various pathways of biomass conversion is based on pulsed electric fields applications (PEF). Energy efficiency of PEF treatment is achieved by specific increase of cell membrane permeability, a phenomenon known as membrane electroporation. Here, we review the opportunities that PEF and electroporation provide for the development of sustainable biorefineries. We describe the use of PEF treatment in biomass engineering, drying, deconstruction, extraction of phytochemicals, improvement of fermentations, and biogas production. These applications show the potential of PEF and consequent membrane electroporation to enable the bioeconomy and sustainable development.

Laser-induced multi-energy processing in diamond growth

NASA Astrophysics Data System (ADS)

Xie, Zhiqiang

Laser-induced multi-energy processing (MEP) introduces resonant vibrational excitations of precursor molecules to conventional chemical vapor deposition methods for material synthesis. In this study, efforts were extended to explore the capability of resonant vibrational excitations for promotion of energy efficiency in chemical reactions, for enhancement of diamond deposition, and for control of chemical reactions. The research project mainly focused on resonant vibrational excitations of precursor molecules using lasers in combustion flame deposition of diamond, which led to: 1) promotion of chemical reactions; 2) enhancement of diamond growth with higher growth rate and better crystallizations; 3) steering of chemical reactions which lead to preferential growth of {100}-oriented diamond films and crystals; and 4) mode-selective excitations of precursor molecules toward bond-selective control of chemical reactions. Diamond films and crystals were deposited in open air by combustion flame deposition through resonant vibrational excitations of precursor molecules, including ethylene (C2H4) and propylene (C3H 6). A kilowatt wavelength-tunable CO2 laser with spectral range from 9.2 to 10.9 microm was tuned to match vibrational modes of the precursor molecules. Resonant vibrational excitations of these molecules were achieved with high energy efficiency as compared with excitations using a common CO2 laser (fixed wavelength at 10.591microm). With resonant vibrational excitations, the diamond growth rate was increased; diamond quality was promoted; diamond crystals with lengths up to 5 mm were deposited in open air; preferential growth of {100}-oriented diamond films and single crystals was achieved; mode-selective excitations of precursor molecules were investigated toward control of chemical reactions. Optical emission spectroscopy (OES), mass spectrometry (MS), and molecular dynamic simulations were conducted to obtain an in-depth understanding of the resonant vibrational excitations. Species concentrations in flames without and with laser excitations under different wavelengths were investigated both experimentally and theoretically. Detection of C2, CH, and OH radicals, as well as CxHy species and their oxides (CxH yO) (x=1, 2; y=0˜5) using OES and MS, together with reaction pathway simulations, were used to explain the effect of vibrational excitations of precursor molecules on chemical reactions and on diamond depositions.

Solar High Temperature Water-Splitting Cycle with Quantum Boost

DOE Office of Scientific and Technical Information (OSTI.GOV)

Taylor, Robin; Davenport, Roger; Talbot, Jan

A sulfur family chemical cycle having ammonia as the working fluid and reagent was developed as a cost-effective and efficient hydrogen production technology based on a solar thermochemical water-splitting cycle. The sulfur ammonia (SA) cycle is a renewable and sustainable process that is unique in that it is an all-fluid cycle (i.e., with no solids handling). It uses a moderate temperature solar plant with the solar receiver operating at 800°C. All electricity needed is generated internally from recovered heat. The plant would operate continuously with low cost storage and it is a good potential solar thermochemical hydrogen production cycle formore » reaching the DOE cost goals. Two approaches were considered for the hydrogen production step of the SA cycle: (1) photocatalytic, and (2) electrolytic oxidation of ammonium sulfite to ammonium sulfate in aqueous solutions. Also, two sub-cycles were evaluated for the oxygen evolution side of the SA cycle: (1) zinc sulfate/zinc oxide, and (2) potassium sulfate/potassium pyrosulfate. The laboratory testing and optimization of all the process steps for each version of the SA cycle were proven in the laboratory or have been fully demonstrated by others, but further optimization is still possible and needed. The solar configuration evolved to a 50 MW(thermal) central receiver system with a North heliostat field, a cavity receiver, and NaCl molten salt storage to allow continuous operation. The H2A economic model was used to optimize and trade-off SA cycle configurations. Parametric studies of chemical plant performance have indicated process efficiencies of ~20%. Although the current process efficiency is technically acceptable, an increased efficiency is needed if the DOE cost targets are to be reached. There are two interrelated areas in which there is the potential for significant efficiency improvements: electrolysis cell voltage and excessive water vaporization. Methods to significantly reduce water evaporation are proposed for future activities. Electrolysis membranes that permit higher temperatures and lower voltages are attainable. The oxygen half cycle will need further development and improvement.« less

The Synergistic Effect between Electrical and Chemical Factors in Plasma Gene/Molecule-Transfection

NASA Astrophysics Data System (ADS)

Jinno, Masafumi

2016-09-01

This study has been done to know what kind of factors in plasma and processes on cells promote plasma gene/molecule transfection. We have discovered a new plasma source using a microcapillary electrode which enables high transfection efficiency and high cell survivability simultaneously. However, the mechanism of the transfection by plasma was not clear. To clarify the transfection mechanisms by micro plasma, we focused on the effects of electrical (current, charge, field, etc.) and chemical (radicals, RONS, etc.) factors generated by the micro plasma and evaluated the contribution weight of three groups of the effects and processes, i.e. electrical, chemical and biochemical ones. At first, the necessity of the electrical factors was estimated by the laser produced plasma (LPP). Mouse L-929 fibroblast cell was cultured on a 96-well plate or 12-well micro slide chamber. Plasmids pCX-EGFP in Tris-EDTA buffer was dropped on the cells and they were exposed to the capillary discharge plasma (CDP) or the LPP. In the case of the CDP, the plasma was generated between the tip of the capillary electrode and the cells so that both electrical and chemical factors were supplied to the cells. In this setup, about 20% of average transfection efficiency was obtained. In the case of the LPP, the plasma was generated apart from the cells so that electrical factors were not supplied to the cells. In this setup, no transfection was observed. These results show that the electrical factors are necessary for the plasma gene transfection. Next, the necessity of the chemical factors was estimated the effect of catalase to remove H2O2 in CDP. The transfection efficiency decreased to 0.4 by scavenging H2O2 with catalase. However, only the solution of H2O2 caused no gene transfection in cells. These results shows that H2O2 is important species to cause gene/molecule transfection but still needs a synergistic effect with electrical or other chemical factors. This work was partly supported by Grants-in-Aid for Scientific Research (25108509 and 15H00896) from JSPS and a grant from Ehime University. The plasmids are prepared by ADRES Shigenobu of Ehime University.

Pathway of FeEDTA transformation and its impact on performance of NOx removal in a chemical absorption-biological reduction integrated process

PubMed Central

Li, Wei; Zhao, Jingkai; Zhang, Lei; Xia, Yinfeng; Liu, Nan; Li, Sujing; Zhang, Shihan

2016-01-01

A novel chemical absorption-biological reduction (CABR) integrated process, employing ferrous ethylenediaminetetraacetate (Fe(II)EDTA) as a solvent, is deemed as a potential option for NOx removal from the flue gas. Previous work showed that the Fe(II)EDTA concentration was critical for the NOx removal in the CABR process. In this work, the pathway of FeEDTA (Fe(III)/Fe(II)-EDTA) transformation was investigated to assess its impact on the NOx removal in a biofilter. Experimental results revealed that the FeEDTA transformation involved iron precipitation and EDTA degradation. X-ray photoelectron spectroscopy analysis confirmed the iron was precipitated in the form of Fe(OH)3. The iron mass balance analysis showed 44.2% of the added iron was precipitated. The EDTA degradation facilitated the iron precipitation. Besides chemical oxidation, EDTA biodegradation occurred in the biofilter. The addition of extra EDTA helped recover the iron from the precipitation. The transformation of FeEDTA did not retard the NO removal. In addition, EDTA rather than the iron concentration determined the NO removal efficiency. PMID:26743930

Microgravity

NASA Image and Video Library

1997-11-01

The goal of the ELF investigation is to improve our fundamental understanding of the effects of the flow environment on flame stability. The flame's stability refers to the position of its base and ultimately its continued existence. Combustion research focuses on understanding the important hidden processes of ignitions, flame spreading, and flame extinction. Understanding these processes will directly affect the efficiency of combustion operations in converting chemical energy to heat and will create a more balanced ecology and healthy environment by reducing pollutants emitted during combustion.

The role of surface chemical analysis in a study to select replacement processes for TCA vapor degreasing

NASA Technical Reports Server (NTRS)

Lesley, Michael W.; Davis, Lawrence E.; Moulder, John F.; Carlson, Brad A.

1995-01-01

The role of surface-sensitive chemical analysis (ESCA, AES, and SIMS) in a study to select a process to replace 1, 1, 1-trichloroethane (TCA) vapor degreasing as a steel and aluminum bonding surface preparation method is described. The effort was primarily concerned with spray-in-air cleaning processes involving aqueous alkaline and semi-aqueous cleaners and a contamination sensitive epoxy-to-metal bondline. While all five cleaners tested produced bonding strength results equal to or better than those produced by vapor degreasing, the aqueous alkaline cleaners yielded results which were superior to those produced by the semi-aqueous cleaners. The main reason for the enhanced performance appears to be a silicate layer left behind by the aqueous alkaline cleaners. The silicate layer increases the polarity of the surface and enhances epoxy-to-metal bonding. On the other hand, one of the semi-aqueous cleaners left a nonpolar carbonaceous residue which appeared to have a negative effect on epoxy-to-metal bonding. Differences in cleaning efficiency between cleaners/processes were also identified. These differences in surface chemistry, which were sufficient to affect bonding, were not detected by conventional chemical analysis techniques.

Degradation of chlorophenols and alkylphenol ethoxylates, two representative textile chemicals, in water by advanced oxidation processes: the state of the art on transformation products and toxicity.

PubMed

Karci, Akin

2014-03-01

Advanced oxidation processes based on the generation of reactive species including hydroxyl radicals are viable options in eliminating a wide array of refractory organic contaminants in industrial effluents. The assessment of transformation products and toxicity should be, however, the critical point that would allow the overall efficiency of advanced oxidation processes to be better understood and evaluated since some transformation products could have an inhibitory effect on certain organisms. This article reviews the most recent studies on transformation products and toxicity for evaluating advanced oxidation processes in eliminating classes of compounds described as "textile chemicals" from aqueous matrices and poses questions in need of further investigation. The scope of this paper is limited to the scientific studies with two classes of textile chemicals, namely chlorophenols and alkylphenol ethoxylates, whose use in textile industry is a matter of debate due to health risks to humans and harm to the environment. The article also raises the critical question: What is the state of the art knowledge on relationships between transformation products and toxicity? Copyright © 2013 Elsevier Ltd. All rights reserved.

Convergent spray process for environmentally friendly coatings

NASA Technical Reports Server (NTRS)

Scarpa, Jack

1995-01-01

Conventional spray application processes have poor transfer efficiencies, resulting in an exorbitant loss in materials, solvents, and time. Also, with ever tightening Environmental Protection Agency (EPA) regulations and Occupational Safety and Health Administration requirements, the low transfer efficiencies have a significant impact on the quantities of materials and solvents that are released into the environment. High solids spray processes are also limited by material viscosities, thus requiring many passes over the surface to achieve a thickness in the 0.125 -inch range. This results in high application costs and a negative impact on the environment. Until recently, requirements for a 100 percent solid sprayable, environmentally friendly, lightweight thermal protection system that can be applied in a thick (greater than 0.125 inch) single-pass operation exceeded the capability of existing systems. Such coatings must be applied by hand lay-up techniques, especially for thermal and/or fire protection systems. The current formulation of these coatings has presented many problems such as worker safety, environmental hazards, waste, high cost, and application constraints. A system which can apply coatings without using hazardous materials would alleviate many of these problems. Potential applications include the aerospace thermal protective specialty coatings, chemical and petroleum industries that require fire-protection coatings that resist impact, chemicals, and weather. These markets can be penetrated by offering customized coatings applied by automated processes that are environmentally friendly.

Instrument to collect fogwater for chemical analysis

NASA Astrophysics Data System (ADS)

Jacob, Daniel J.; Waldman, Jed M.; Haghi, Mehrdad; Hoffmann, Michael R.; Flagan, Richard C.

1985-06-01

An instrument is presented which collects large samples of ambient fogwater by impaction of droplets on a screen. The collection efficiency of the instrument is determined as a function of droplet size, and it is shown that fog droplets in the range 3-100-μm diameter are efficiently collected. No significant evaporation or condensation occurs at any stage of the collection process. Field testing indicates that samples collected are representative of the ambient fogwater. The instrument may easily be automated, and is suitable for use in routine air quality monitoring programs.

An infrared measurement of chemical desorption from interstellar ice analogues

NASA Astrophysics Data System (ADS)

Oba, Y.; Tomaru, T.; Lamberts, T.; Kouchi, A.; Watanabe, N.

2018-03-01

In molecular clouds at temperatures as low as 10 K, all species except hydrogen and helium should be locked in the heterogeneous ice on dust grain surfaces. Nevertheless, astronomical observations have detected over 150 different species in the gas phase in these clouds. The mechanism by which molecules are released from the dust surface below thermal desorption temperatures to be detectable in the gas phase is crucial for understanding the chemical evolution in such cold clouds. Chemical desorption, caused by the excess energy of an exothermic reaction, was first proposed as a key molecular release mechanism almost 50 years ago1. Chemical desorption can, in principle, take place at any temperature, even below the thermal desorption temperature. Therefore, astrochemical network models commonly include this process2,3. Although there have been a few previous experimental efforts4-6, no infrared measurement of the surface (which has a strong advantage to quantify chemical desorption) has been performed. Here, we report the first infrared in situ measurement of chemical desorption during the reactions H + H2S → HS + H2 (reaction 1) and HS + H → H2S (reaction 2), which are key to interstellar sulphur chemistry2,3. The present study clearly demonstrates that chemical desorption is a more efficient process for releasing H2S into the gas phase than was previously believed. The obtained effective cross-section for chemical desorption indicates that the chemical desorption rate exceeds the photodesorption rate in typical interstellar environments.

Modeling chemical vapor deposition of silicon dioxide in microreactors at atmospheric pressure

NASA Astrophysics Data System (ADS)

Konakov, S. A.; Krzhizhanovskaya, V. V.

2015-01-01

We developed a multiphysics mathematical model for simulation of silicon dioxide Chemical Vapor Deposition (CVD) from tetraethyl orthosilicate (TEOS) and oxygen mixture in a microreactor at atmospheric pressure. Microfluidics is a promising technology with numerous applications in chemical synthesis due to its high heat and mass transfer efficiency and well-controlled flow parameters. Experimental studies of CVD microreactor technology are slow and expensive. Analytical solution of the governing equations is impossible due to the complexity of intertwined non-linear physical and chemical processes. Computer simulation is the most effective tool for design and optimization of microreactors. Our computational fluid dynamics model employs mass, momentum and energy balance equations for a laminar transient flow of a chemically reacting gas mixture at low Reynolds number. Simulation results show the influence of microreactor configuration and process parameters on SiO2 deposition rate and uniformity. We simulated three microreactors with the central channel diameter of 5, 10, 20 micrometers, varying gas flow rate in the range of 5-100 microliters per hour and temperature in the range of 300-800 °C. For each microchannel diameter we found an optimal set of process parameters providing the best quality of deposited material. The model will be used for optimization of the microreactor configuration and technological parameters to facilitate the experimental stage of this research.

Enhanced extraction of butyric acid under high-pressure CO2 conditions to integrate chemical catalysis for value-added chemicals and biofuels.

PubMed

Chun, Jaesung; Choi, Okkyoung; Sang, Byoung-In

2018-01-01

Extractive fermentation with the removal of carboxylic acid requires low pH conditions because acids are better partitioned into the solvent phase at low pH values. However, this requirement conflicts with the optimal near-neutral pH conditions for microbial growth. CO 2 pressurization was used, instead of the addition of chemicals, to decrease pH for the extraction of butyric acid, a fermentation product of Clostridium tyrobutyricum , and butyl butyrate was selected as an extractant. CO 2 pressurization (50 bar) improved the extraction efficiency of butyric acid from a solution at pH 6, yielding a distribution coefficient ( D ) 0.42. In situ removal of butyric acid during fermentation increased the production of butyric acid by up to 4.10 g/L h, an almost twofold increase over control without the use of an extraction process. In situ extraction of butyric acid using temporal CO 2 pressurization may be applied to an integrated downstream catalytic process for upgrading butyric acid to value-added chemicals in an organic solvent.

Chemical engineering challenges and investment opportunities in sustainable energy.

PubMed

Heller, Adam

2008-01-01

The chemical and energy industries are transforming as they adjust to the new era of high-priced petroleum and severe global warming. As a result of the transformation, engineering challenges and investment opportunities abound. Rapid evolution and fast growth are expected in cathode and anode materials as well as polymeric electrolytes for vehicular batteries and in high-performance polymer-ceramic composites for wind turbines, fuel-efficient aircraft, and lighter and safer cars. Unique process-engineering opportunities exist in sand-oil, coal, and possibly also shale liquefaction to produce transportation fuel; and also in genetic engineering of photosynthesizing plants and other organisms for their processing into high-performance biodegradable polymers and high-value-added environmentally friendly chemicals. Also, research on the feasibility of mitigation of global warming through enhancement of CO(2) uptake by the southern oceans by fertilization with trace amounts of iron is progressing. Because chemical engineers are uniquely well trained in mathematical modeling of mass transport, flow, and mixing, and also in cost analysis, they are likely to join the oceanographers and marine biologists in this important endeavor.

Beyond fossil fuel–driven nitrogen transformations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Jingguang G.; Crooks, Richard M.; Seefeldt, Lance C.

Nitrogen is fundamental to all of life and many industrial processes. The interchange of nitrogen oxidation states in the industrial production of ammonia, nitric acid, and other commodity chemicals is largely powered by fossil fuels. Here, a key goal of contemporary research in the field of nitrogen chemistry is to minimize the use of fossil fuels by developing more efficient heterogeneous, homogeneous, photo-, and electrocatalytic processes or by adapting the enzymatic processes underlying the natural nitrogen cycle. These approaches, as well as the challenges involved, are discussed in this Review.

Beyond fossil fuel–driven nitrogen transformations

DOE PAGES

Chen, Jingguang G.; Crooks, Richard M.; Seefeldt, Lance C.; ...

2018-05-25

Nitrogen is fundamental to all of life and many industrial processes. The interchange of nitrogen oxidation states in the industrial production of ammonia, nitric acid, and other commodity chemicals is largely powered by fossil fuels. Here, a key goal of contemporary research in the field of nitrogen chemistry is to minimize the use of fossil fuels by developing more efficient heterogeneous, homogeneous, photo-, and electrocatalytic processes or by adapting the enzymatic processes underlying the natural nitrogen cycle. These approaches, as well as the challenges involved, are discussed in this Review.

New Photocatalysis for Effective Degradation of Organic Pollutants in Water

NASA Astrophysics Data System (ADS)

Zarei Chaleshtori, M.; Saupe, G. B.; Masoud, S.

2009-12-01

The presence of harmful compounds in water supplies and in the discharge of wastewater from chemical industries, power plants, and agricultural sources is a topic of global concern. The processes and technologies available at the present time for the treatment of polluted water are varied that include traditional water treatment processes such as biological, thermal and chemical treatment. All these water treatment processes, have limitations of their own and none is cost effective. Advanced oxidation processes have been proposed as an alternative for the treatment of this kind of wastewater. Heterogeneous photocatalysis has recently emerged as an efficient method for purifying water. TiO2 has generally been demonstrated to be the most active semiconductor material for decontamination water. One significant factor is the cost of separation TiO2, which is generally a powder having a very small particle size from the water after treatment by either sedimentation or ultrafiltration. The new photocatalyst, HTiNbO5, has been tested to determine whether its photocatalytic efficiency is good enough for use in photocatalytic water purification since it has high surface area and relatively large particle size. The larger particle sizes of the porous materials facilitate catalyst removal from a solution, after purification has taken place. It can be separated from water easily than TiO2, a significant technical improvement that might eliminate the tedious final filtration necessary with a slurry. These materials are characterized and tested as water decontamination photocatalysts. The new catalyst exhibited excellent catalytic activity, but with a strong pH dependence on the photo efficiency. These results suggest that elimination of the ion exchange character of the catalyst may greatly improve its performance at various pHs. This new research proposes to study the effects of a topotactic dehydration reaction on these new porous material catalysts.

Occurrence and fate of benzotriazoles UV filters in a typical residential wastewater treatment plant in Harbin, China.

PubMed

Zhao, Xue; Zhang, Zi-Feng; Xu, Lei; Liu, Li-Yan; Song, Wei-Wei; Zhu, Fu-Jie; Li, Yi-Fan; Ma, Wan-Li

2017-08-01

Benzotriazoles (BTs) UV filters are widely used as ultraviolet absorbents for our daily products, which received increasing attention in the past decades. Residential wastewater treatment plant (WWTP) is both an important sink for wastewater and a key pollution source for receiving water for these chemicals. In this study, pretreatment and gas chromatography-tandem mass spectrometry analysis method were developed to determine the occurrence and fate of 9 BTs UV filters in wastewater and sludge from the WWTP with anaerobic-oxic treatment process (A/O) and biological aerated filter treatment process (BAF). Totally, 81 wastewater samples and 11 sludge samples were collected in four seasons. In wastewater, UV-326 and UV-329 were frequently detected, while the highest mean concentrations were detected for UV-234 and UV-329. The concentrations were in the range of 85% in A/O process and 60-77% in BAF process except for UV-350, which was more difficult to remove with lower removal efficiencies of 33.3% for both A/O and BAF. All the target chemicals except for UV-320 were detected in sludge samples with the mean concentration ranging from 0.90 ng/g to 303.39 ng/g. There was no significant difference with concentrations and removal efficiency among different seasons. Higher detection frequency and concentration of BTs UV filters in downstream of the receiving water system indicated the contribution of effluent of the WWTP. Compared with other rivers, the lower concentrations in surface water in the Songhua River indicated light pollution status with of BTs UV filters. Copyright © 2017 Elsevier Ltd. All rights reserved.

Asymmetric photoredox transition-metal catalysis activated by visible light.

PubMed

Huo, Haohua; Shen, Xiaodong; Wang, Chuanyong; Zhang, Lilu; Röse, Philipp; Chen, Liang-An; Harms, Klaus; Marsch, Michael; Hilt, Gerhard; Meggers, Eric

2014-11-06

Asymmetric catalysis is seen as one of the most economical strategies to satisfy the growing demand for enantiomerically pure small molecules in the fine chemical and pharmaceutical industries. And visible light has been recognized as an environmentally friendly and sustainable form of energy for triggering chemical transformations and catalytic chemical processes. For these reasons, visible-light-driven catalytic asymmetric chemistry is a subject of enormous current interest. Photoredox catalysis provides the opportunity to generate highly reactive radical ion intermediates with often unusual or unconventional reactivities under surprisingly mild reaction conditions. In such systems, photoactivated sensitizers initiate a single electron transfer from (or to) a closed-shell organic molecule to produce radical cations or radical anions whose reactivities are then exploited for interesting or unusual chemical transformations. However, the high reactivity of photoexcited substrates, intermediate radical ions or radicals, and the low activation barriers for follow-up reactions provide significant hurdles for the development of efficient catalytic photochemical processes that work under stereochemical control and provide chiral molecules in an asymmetric fashion. Here we report a highly efficient asymmetric catalyst that uses visible light for the necessary molecular activation, thereby combining asymmetric catalysis and photocatalysis. We show that a chiral iridium complex can serve as a sensitizer for photoredox catalysis and at the same time provide very effective asymmetric induction for the enantioselective alkylation of 2-acyl imidazoles. This new asymmetric photoredox catalyst, in which the metal centre simultaneously serves as the exclusive source of chirality, the catalytically active Lewis acid centre, and the photoredox centre, offers new opportunities for the 'green' synthesis of non-racemic chiral molecules.

Asymmetric photoredox transition-metal catalysis activated by visible light

NASA Astrophysics Data System (ADS)

Huo, Haohua; Shen, Xiaodong; Wang, Chuanyong; Zhang, Lilu; Röse, Philipp; Chen, Liang-An; Harms, Klaus; Marsch, Michael; Hilt, Gerhard; Meggers, Eric

2014-11-01

Asymmetric catalysis is seen as one of the most economical strategies to satisfy the growing demand for enantiomerically pure small molecules in the fine chemical and pharmaceutical industries. And visible light has been recognized as an environmentally friendly and sustainable form of energy for triggering chemical transformations and catalytic chemical processes. For these reasons, visible-light-driven catalytic asymmetric chemistry is a subject of enormous current interest. Photoredox catalysis provides the opportunity to generate highly reactive radical ion intermediates with often unusual or unconventional reactivities under surprisingly mild reaction conditions. In such systems, photoactivated sensitizers initiate a single electron transfer from (or to) a closed-shell organic molecule to produce radical cations or radical anions whose reactivities are then exploited for interesting or unusual chemical transformations. However, the high reactivity of photoexcited substrates, intermediate radical ions or radicals, and the low activation barriers for follow-up reactions provide significant hurdles for the development of efficient catalytic photochemical processes that work under stereochemical control and provide chiral molecules in an asymmetric fashion. Here we report a highly efficient asymmetric catalyst that uses visible light for the necessary molecular activation, thereby combining asymmetric catalysis and photocatalysis. We show that a chiral iridium complex can serve as a sensitizer for photoredox catalysis and at the same time provide very effective asymmetric induction for the enantioselective alkylation of 2-acyl imidazoles. This new asymmetric photoredox catalyst, in which the metal centre simultaneously serves as the exclusive source of chirality, the catalytically active Lewis acid centre, and the photoredox centre, offers new opportunities for the `green' synthesis of non-racemic chiral molecules.

Combining hot-compressed water and ball milling pretreatments to improve the efficiency of the enzymatic hydrolysis of eucalyptus

PubMed Central

Inoue, Hiroyuki; Yano, Shinichi; Endo, Takashi; Sakaki, Tsuyoshi; Sawayama, Shigeki

2008-01-01

Background Lignocellulosic biomass such as wood is an attractive material for fuel ethanol production. Pretreatment technologies that increase the digestibility of cellulose and hemicellulose in the lignocellulosic biomass have a major influence on the cost of the subsequent enzymatic hydrolysis and ethanol fermentation processes. Pretreatments without chemicals such as acids, bases or organic solvents are less effective for an enzymatic hydrolysis process than those with chemicals, but they have a less negative effect on the environment. Results The enzymatic digestibility of eucalyptus was examined following a combined pretreatment without chemicals comprising a ball milling (BM) and hot-compressed water (HCW) treatment. The BM treatment simultaneously improved the digestibility of both glucan and xylan, and was effective in lowering the enzyme loading compared with the HCW treatment. The combination of HCW and BM treatment reduced the BM time. The eucalyptus treated with HCW (160°C, 30 minutes) followed by BM (20 minutes) had an approximately 70% yield of total sugar with a cellulase loading of 4 FPU/g substrate. This yield was comparable to the yields from samples treated with HCW (200°C, 30 minutes) or BM (40 minutes) hydrolyzed with 40 FPU/g substrate. Conclusion The HCW treatment is useful in improving the milling efficiency. The combined HCW-BM treatment can save energy and enzyme loading. PMID:18471309

Development of pH Sensitive Nanoparticles for Intestinal Drug Delivery Using Chemically Modified Guar Gum Co-Polymer.

PubMed

Varma, Vegesna Naga Sravan Kumar; Shivakumar, Hosakote Gurumalappa; Balamuralidhara, Veerna; Navya, Manne; Hani, Umme

2016-01-01

The aim of the research work was to chemically modify guargum (GG) as a pH sensitive co-polymer and formulating intestinal targeting ESO nanoparticles (NPs) using the synthesized co-polymer. Poly acrylamide-grafted-guar gum (PAAm-g-GG) co-polymer was synthesized by free radical polymerization. Chemical modification of PAAm-g-GG by alkaline hydrolysis results in formation of a pH-sensitive co-polymer. The effect of GG and acryl amide (AAm) on grafting was studied. Esomeprazole magnesium (ESO) loaded pH sensitive NPs were prepared by nano-emulsification polymer crosslinking method and characterized. Sixteen formulations were prepared and the concentration of process variables wasvaried to obtain nanoparticles of 200-600 nm. The NPs were found to be homogenous in size distribution. The encapsulation efficiency and drug loading ranged from 33.2% to 50.1% and 12.2% to 17.2% respectively. Particle size, encapsulation efficiency and drug loading increasedalong with co-polymer concentration. In-vitro release studies at pH 1.2 for 2 h, followed by pH 6.8 showed that environment pH significantly affected the drug release. SEM has shown that NPsare spherical with smooth surface. The pH sensitive PAAm-g-GGNPs resisted the initial release of the drug from the drug loaded NPs in acidic pH and delayed the release process to a longer period in alkaline environment.

Development of pH Sensitive Nanoparticles for Intestinal Drug Delivery Using Chemically Modified Guar Gum Co-Polymer

PubMed Central

Varma, Vegesna Naga Sravan Kumar; Shivakumar, Hosakote Gurumalappa; Balamuralidhara, Veerna; Navya, Manne; Hani, Umme

2016-01-01

The aim of the research work was to chemically modify guargum (GG) as a pH sensitive co-polymer and formulating intestinal targeting ESO nanoparticles (NPs) using the synthesized co-polymer. Poly acrylamide-grafted-guar gum (PAAm-g-GG) co-polymer was synthesized by free radical polymerization. Chemical modification of PAAm-g-GG by alkaline hydrolysis results in formation of a pH-sensitive co-polymer. The effect of GG and acryl amide (AAm) on grafting was studied. Esomeprazole magnesium (ESO) loaded pH sensitive NPs were prepared by nano-emulsification polymer crosslinking method and characterized. Sixteen formulations were prepared and the concentration of process variables wasvaried to obtain nanoparticles of 200-600 nm. The NPs were found to be homogenous in size distribution. The encapsulation efficiency and drug loading ranged from 33.2% to 50.1% and 12.2% to 17.2% respectively. Particle size, encapsulation efficiency and drug loading increasedalong with co-polymer concentration. In-vitro release studies at pH 1.2 for 2 h, followed by pH 6.8 showed that environment pH significantly affected the drug release. SEM has shown that NPsare spherical with smooth surface. The pH sensitive PAAm-g-GGNPs resisted the initial release of the drug from the drug loaded NPs in acidic pH and delayed the release process to a longer period in alkaline environment. PMID:27610149

Simulation of Constructed Wetland in treating Wastewater using Fuzzy Logic Technique

NASA Astrophysics Data System (ADS)

Sudarsan, J. S.; Subramani, Sheekha; Rajan, Rajitha J.; Shah, Isha; Nithiyanantham, S.

2018-04-01

Constructed wetlands act as a natural alternative to conventional methods of wastewater treatment. CW are found effective in wastewater containing inorganic matter, organic matter, toxic compounds, metals, nitrogen, phosphorous, heavy metals, organic chemicals, and pathogens. The treatment efficiency by the adaptation of CWs in treatment process is achieved by a complex interaction between plants, microorganisms, soil matrix and substances in the wastewater. Constructed wetland treatment systems are engineered systems designed in such a manner that it could take advantages of those processes occurring in natural wetlands in treating the wastewater concerned, but in a more controlled environment. Petrochemical wastewater was the type of wastewater taken for the study. Characteristics of petrochemical wastewater mainly oil, Biological Oxygen Demand (BOD) and Chemical oxygen demand (COD) were selected for treatment in constructed wetland as they are predominant in petrochemical wastewater. The conventional methods followed in the treatment are chemical and biological treatment. In this study, a fuzzy model for water quality assessment has been developed and water quality index value was obtained. The experiment conducted and further analysis using fuzzy logic indicated that interpretation of certain imprecise data can be improved within fuzzy inference system (FIS). Based on the analysis, we could observe that Typha sp contained wetland cell showed greater efficiency in removal of parameters such as COD and BOD than Phragmites sp. wetland cell.

Chemical Composition of African Biomass Burning Aerosols Over the Southeast Atlantic: Aerosol Mass Spectrometer Results from the 2016 and 2017 ORACLES Field Campaigns.

NASA Astrophysics Data System (ADS)

Dobracki, A. N.; Howell, S. G.; Freitag, S.; Smirnow, N.; Podolske, J. R.

2017-12-01

Biomass burning (BB) is one of the largest contributors of anthropogenic aerosols in the atmosphere. During BB events, organic and inorganic gases and particles are emitted into the atmosphere. Because of their abundance, particle size, and radiative properties, BB aerosols play an important role in global climate. Southern Africa produces 30% of the Earth's BB aerosol particles. Organics, Nitrates, sulfates, and refractory black carbon, along with other chemical species are lofted into the free troposphere and transported over the Southeast Atlantic Ocean. However, considerate uncertainty remains in the chemical composition of these plumes with its large variety of organic and inorganic species. As part of the NASA ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) 2016 and 2017 airborne field campaigns, an Aerosol Mass Spectrometer (AMS) was used to sample the chemical composition and chemical structure of the aerosol in this region. Results show constant vertical stratification within the plume over the course of the campaign (August 2017 / September 2016). Using nitrate (NO3) and organic carbon (OC) as two tracers, the structure of the September 2016 plume had a ratio of 1:8 (NO3:OC) in the upper plume (3km-5km), while the lower plume (1km-2.5km) had a ratio of 1:12 (NO3:OC). AMS measurements were supported by carbon monoxide (CO) and carbon dioxide (CO2) measurements. This data revealed a modified combustion efficiency (MCE= ΔCO2/ΔCO2 + ΔCO) of <0.97 in the upper plume, and a higher MCE > 0.97 in the lower plume. An MCE above 0.9 represents efficient burning processes. Additionally, concentrations of C2(H2O)2 (m/z60), a common chemical fragment from breaking up carbohydrates (primarily levoglucosan) emitted by burning biomass only represented <1% of total organics throughout the campaign. These low concentrations are due to efficient combustion rather than oxidation during transport. These results are consistent with earlier studies of efficient fires.

Young Stellar Objects from Soft to Hard X-rays

NASA Astrophysics Data System (ADS)

Güdel, Manuel

2009-05-01

Magnetically active stars are the sites of efficient particle acceleration and plasma heating, processes that have been studied in detail in the solar corona. Investigation of such processes in young stellar objects is much more challenging due to various absorption processes. There is, however, evidence for violent magnetic energy release in very young stellar objects. The impact on young stellar environments (e.g., circumstellar disk heating and ionization, operation of chemical networks, photoevaporation) may be substantial. Hard X-ray devices like those carried on Simbol-X will establish a basis for detailed studies of these processes.

Engineering deacetoxycephalosporin C synthase as a catalyst for the bioconversion of penicillins.

PubMed

Fan, Keqiang; Lin, Baixue; Tao, Yong; Yang, Keqian

2017-05-01

7-aminodeacetoxycephalosporanic acid (7-ADCA) is a key intermediate of many clinically useful semisynthetic cephalosporins that were traditionally prepared by processes involving chemical ring expansion of penicillin G. Bioconversion of penicillins to cephalosporins using deacetoxycephalosporin C synthase (DAOCS) is an alternative and environmentally friendly process for 7-ADCA production. Arnold Demain and co-workers pioneered such a process. Later, protein engineering efforts to improve the substrate specificity and catalytic efficiency of DAOCS for penicillins have been made by many groups, and a whole cell process using Escherichia coli for bioconversion of penicillins has been developed.

Cell disruption and lipid extraction for microalgal biorefineries: A review.

PubMed

Lee, Soo Youn; Cho, Jun Muk; Chang, Yong Keun; Oh, You-Kwan

2017-11-01

The microalgae-based biorefinement process has attracted much attention from academic and industrial researchers attracted to its biofuel, food and nutraceutical applications. In this paper, recent developments in cell-disruption and lipid-extraction methods, focusing on four biotechnologically important microalgal species (namely, Chlamydomonas, Haematococcus, Chlorella, and Nannochloropsis spp.), are reviewed. The structural diversity and rigidity of microalgal cell walls complicate the development of efficient downstream processing methods for cell-disruption and subsequent recovery of intracellular lipid and pigment components. Various mechanical, chemical and biological cell-disruption methods are discussed in detail and compared based on microalgal species and status (wet/dried), scale, energy consumption, efficiency, solvent extraction, and synergistic combinations. The challenges and prospects of the downstream processes for the future development of eco-friendly and economical microalgal biorefineries also are outlined herein. Copyright © 2017 Elsevier Ltd. All rights reserved.

Mercury stabilization in chemically bonded phosphate ceramics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wagh, A. S.; Singh, D.; Jeong, S. Y.

2000-04-04

Mercury stabilization and solidification is a significant challenge for conventional stabilization technologies. This is because of the stringent regulatory limits on leaching of its stabilized products. In a conventional cement stabilization process, Hg is converted at high pH to its hydroxide, which is not a very insoluble compound; hence the preferred route for Hg sulfidation to convert it into insoluble cinnabar (HgS). Unfortunately, efficient formation of this compound is pH-dependent. At a high pH, one obtains a more soluble Hg sulfate, in a very low pH range, insufficient immobilization occurs because of the escape of hydrogen sulfide, while efficient formationmore » of HgS occurs only in a moderately acidic region. Thus, the pH range of 4 to 8 is where stabilization with Chemically Bonded Phosphate Ceramics (CBPC) is carried out. This paper discusses the authors experience on bench-scale stabilization of various US Department of Energy (DOE) waste streams containing Hg in the CBPC process. This process was developed to treat DOE's mixed waste streams. It is a room-temperature-setting process based on an acid-base reaction between magnesium oxide and monopotassium phosphate solution that forms a dense ceramic within hours. For Hg stabilization, addition of a small amount (< 1 wt.%) of Na{sub 2}S or K{sub 2}S is sufficient in the binder composition. Here the Toxicity Characteristic Leaching Procedure (TCLP) results on CBPC waste forms of surrogate waste streams representing secondary Hg containing wastes such as combustion residues and Delphi DETOX{trademark} residues are presented. The results show that although the current limit on leaching of Hg is 0.2 mg/L, the results from the CBPC waste forms are at least one order lower than this stringent limit. Encouraged by these results on surrogate wastes, they treated actual low-level Hg-containing mixed waste from their facility at Idaho. TCLP results on this waste are presented here. The efficient stabilization in all these cases is attributed to chemical immobilization as both a sulfide (cinnabar) and a phosphate, followed by its physical encapsulation in a dense matrix of the ceramic.« less

Developing energy efficient lignin biomass processing - towards understanding mediator behaviour in ionic liquids.

PubMed

Eshtaya, Majd; Ejigu, Andinet; Stephens, Gill; Walsh, Darren A; Chen, George Z; Croft, Anna K

2016-08-15

Environmental concerns have brought attention to the requirement for more efficient and renewable processes for chemicals production. Lignin is the second most abundant natural polymer, and might serve as a sustainable resource for manufacturing fuels and aromatic derivatives for the chemicals industry after being depolymerised. In this work, the mediator 2,2'-azino-bis(3-ethylbenthiazoline-6-sulfonic acid) diammonium salt (ABTS), commonly used with enzyme degradation systems, has been evaluated by means of cyclic voltammetry (CV) for enhancing the oxidation of the non-phenolic lignin model compound veratryl alcohol and three types of lignin (organosolv, Kraft and lignosulfonate) in the ionic liquid 1-ethyl-3-methylimidazolium ethyl sulfate, ([C2mim][C2SO4]). The presence of either veratryl alcohol or organosolv lignin increased the second oxidation peak of ABTS under select conditions, indicating the ABTS-mediated oxidation of these molecules at high potentials in [C2mim][C2SO4]. Furthermore, CV was applied as a quick and efficient way to explore the impact of water in the ABTS-mediated oxidation of both organosolv and lignosulfonate lignin. Higher catalytic efficiencies of ABTS were observed for lignosulfonate solutions either in sodium acetate buffer or when [C2mim][C2SO4] (15 v/v%) was present in the buffer solution, whilst there was no change found in the catalytic efficiency of ABTS in [C2mim][C2SO4]-lignosulfonate mixtures relative to ABTS alone. In contrast, organosolv showed an initial increase in oxidation, followed by a significant decrease on increasing the water content of a [C2mim][C2SO4] solution.

High Temperature Polybenzimidazole Hollow Fiber Membranes for Hydrogen Separation and Carbon Dioxide Capture from Synthesis Gas

DOE PAGES

Singh, Rajinder P.; Dahe, Ganpat J.; Dudeck, Kevin W.; ...

2014-12-31

Sustainable reliance on hydrocarbon feedstocks for energy generation requires CO₂ separation technology development for energy efficient carbon capture from industrial mixed gas streams. High temperature H₂ selective glassy polymer membranes are an attractive option for energy efficient H₂/CO₂ separations in advanced power production schemes with integrated carbon capture. They enable high overall process efficiencies by providing energy efficient CO₂ separations at process relevant operating conditions and correspondingly, minimized parasitic energy losses. Polybenzimidazole (PBI)-based materials have demonstrated commercially attractive H₂/CO₂ separation characteristics and exceptional tolerance to hydrocarbon fuel derived synthesis (syngas) gas operating conditions and chemical environments. To realize a commerciallymore » attractive carbon capture technology based on these PBI materials, development of high performance, robust PBI hollow fiber membranes (HFMs) is required. In this work, we discuss outcomes of our recent efforts to demonstrate and optimize the fabrication and performance of PBI HFMs for use in pre-combustion carbon capture schemes. These efforts have resulted in PBI HFMs with commercially attractive fabrication protocols, defect minimized structures, and commercially attractive permselectivity characteristics at IGCC syngas process relevant conditions. The H₂/CO₂ separation performance of these PBI HFMs presented in this document regarding realistic process conditions is greater than that of any other polymeric system reported to-date.« less

The efficiency of cellular energy transduction and its implications for obesity.

PubMed

Harper, Mary-Ellen; Green, Katherine; Brand, Martin D

2008-01-01

We assess the existence, mechanism, and functions of less-than-maximal coupling efficiency of mitochondrial oxidative phosphorylation and its potential as a target for future antiobesity interventions. Coupling efficiency is the proportion of oxygen consumption used to make adenosine triphosphate (ATP) and do useful work. High coupling efficiency may lead to fat deposition; low coupling efficiency to a decrease in fat stores. We review obligatory and facultative energy expenditure and the role of a futile cycle of proton pumping and proton leak across the mitochondrial inner membrane in dissipating energy. Basal proton conductance is catalyzed primarily by the adenine nucleotide translocase but can be mimicked by chemical uncouplers. Inducible proton conductance is catalyzed by specific uncoupling proteins. We discuss the opportunities and pitfalls of targeting these processes as a treatment for obesity by decreasing coupling efficiency and increasing energy expenditure, either directly or through central mechanisms of energy homeostasis.

A durable monolithic polymer foam for efficient solar steam generation† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc02967e

PubMed Central

Chen, Qiaomei; Pei, Zhiqiang; Xu, Yanshuang; Li, Zhen; Yang, Yang

2017-01-01

Efficient and cost-effective solar steam generation requires self-floating evaporators which can convert light into heat, prevent unnecessary heat loss and greatly accelerate evaporation without solar concentrators. Currently, the most efficient evaporators (efficiency of ∼80% under 1 sun) are invariably built from inorganic materials, which are difficult to mold into monolithic sheets. Here, we present a new polymer which can be easily solution processed into a self-floating monolithic foam. The single-component foam can be used as an evaporator with an efficiency at 1 sun comparable to that of the best graphene-based evaporators. Even at 0.5 sun, the efficiency can reach 80%. Moreover, the foam is mechanically strong, thermally stable to 300 °C and chemically resistant to organic solvents. PMID:29629127

Lateral MoS2 p-n junction formed by chemical doping for use in high-performance optoelectronics.

PubMed

Choi, Min Sup; Qu, Deshun; Lee, Daeyeong; Liu, Xiaochi; Watanabe, Kenji; Taniguchi, Takashi; Yoo, Won Jong

2014-09-23

This paper demonstrates a technique to form a lateral homogeneous 2D MoS2 p-n junction by partially stacking 2D h-BN as a mask to p-dope MoS2. The fabricated lateral MoS2 p-n junction with asymmetric electrodes of Pd and Cr/Au displayed a highly efficient photoresponse (maximum external quantum efficiency of ∼7000%, specific detectivity of ∼5 × 10(10) Jones, and light switching ratio of ∼10(3)) and ideal rectifying behavior. The enhanced photoresponse and generation of open-circuit voltage (VOC) and short-circuit current (ISC) were understood to originate from the formation of a p-n junction after chemical doping. Due to the high photoresponse at low VD and VG attributed to its built-in potential, our MoS2 p-n diode made progress toward the realization of low-power operating photodevices. Thus, this study suggests an effective way to form a lateral p-n junction by the h-BN hard masking technique and to improve the photoresponse of MoS2 by the chemical doping process.

A DAG Scheduling Scheme on Heterogeneous Computing Systems Using Tuple-Based Chemical Reaction Optimization

PubMed Central

Jiang, Yuyi; Shao, Zhiqing; Guo, Yi

2014-01-01

A complex computing problem can be solved efficiently on a system with multiple computing nodes by dividing its implementation code into several parallel processing modules or tasks that can be formulated as directed acyclic graph (DAG) problems. The DAG jobs may be mapped to and scheduled on the computing nodes to minimize the total execution time. Searching an optimal DAG scheduling solution is considered to be NP-complete. This paper proposed a tuple molecular structure-based chemical reaction optimization (TMSCRO) method for DAG scheduling on heterogeneous computing systems, based on a very recently proposed metaheuristic method, chemical reaction optimization (CRO). Comparing with other CRO-based algorithms for DAG scheduling, the design of tuple reaction molecular structure and four elementary reaction operators of TMSCRO is more reasonable. TMSCRO also applies the concept of constrained critical paths (CCPs), constrained-critical-path directed acyclic graph (CCPDAG) and super molecule for accelerating convergence. In this paper, we have also conducted simulation experiments to verify the effectiveness and efficiency of TMSCRO upon a large set of randomly generated graphs and the graphs for real world problems. PMID:25143977

A DAG scheduling scheme on heterogeneous computing systems using tuple-based chemical reaction optimization.

PubMed

Jiang, Yuyi; Shao, Zhiqing; Guo, Yi

2014-01-01

A complex computing problem can be solved efficiently on a system with multiple computing nodes by dividing its implementation code into several parallel processing modules or tasks that can be formulated as directed acyclic graph (DAG) problems. The DAG jobs may be mapped to and scheduled on the computing nodes to minimize the total execution time. Searching an optimal DAG scheduling solution is considered to be NP-complete. This paper proposed a tuple molecular structure-based chemical reaction optimization (TMSCRO) method for DAG scheduling on heterogeneous computing systems, based on a very recently proposed metaheuristic method, chemical reaction optimization (CRO). Comparing with other CRO-based algorithms for DAG scheduling, the design of tuple reaction molecular structure and four elementary reaction operators of TMSCRO is more reasonable. TMSCRO also applies the concept of constrained critical paths (CCPs), constrained-critical-path directed acyclic graph (CCPDAG) and super molecule for accelerating convergence. In this paper, we have also conducted simulation experiments to verify the effectiveness and efficiency of TMSCRO upon a large set of randomly generated graphs and the graphs for real world problems.

Advanced Sodium Ion Battery Anode Constructed via Chemical Bonding between Phosphorus, Carbon Nanotube, and Cross-Linked Polymer Binder.

PubMed

Song, Jiangxuan; Yu, Zhaoxin; Gordin, Mikhail L; Li, Xiaolin; Peng, Huisheng; Wang, Donghai

2015-12-22

Maintaining structural stability is a great challenge for high-capacity conversion electrodes with large volume change but is necessary for the development of high-energy-density, long-cycling batteries. Here, we report a stable phosphorus anode for sodium ion batteries by the synergistic use of chemically bonded phosphorus-carbon nanotube (P-CNT) hybrid and cross-linked polymer binder. The P-CNT hybrid was synthesized through ball-milling of red phosphorus and carboxylic group functionalized carbon nanotubes. The P-O-C bonds formed in this process help maintain contact between phosphorus and CNTs, leading to a durable hybrid. In addition, cross-linked carboxymethyl cellulose-citric acid binder was used to form a robust electrode. As a result, this anode delivers a stable cycling capacity of 1586.2 mAh/g after 100 cycles, along with high initial Coulombic efficiency of 84.7% and subsequent cycling efficiency of ∼99%. The unique electrode framework through chemical bonding strategy reported here is potentially inspirable for other electrode materials with large volume change in use.

Advanced wastewater treatment simplified through research

DOE Office of Scientific and Technical Information (OSTI.GOV)

Souther, R.H.

A waste water treatment plant was built based on results of a small-scale pilot plant study, conducted largely in a search for efficiency as well as economy. Results were that 98 percent carbonaceous BOD (BOD/sub C/) and nitrogenous BOD (BOD/sub N/) were removed in a simplified, low-cost, single-stage advanced treatment process surpassing even some of the most sophisticated advanced complex waste treatment methods. The single-stage process treats domestic waste alone or combined with very high amounts of textile, electroplating, chemical, food, and other processing industrial wastewater. The process removed 100 percent of the sulfides above 98 percent of NH/sub 3/-N,more » over 90 percent of COD and phenols; chromium was converted from highly toxic hexavalent CrVI to nearly nontoxic trivalent chrome (CrIII). A pH up to 12 may be tolerated if no free hydroxyl (OH) ions are present. Equalization ponds, primary settling tanks, trickling filters, extra nitrogen removal tanks, carbon columns, and chemical treatment are not required. Color removal is excellent with clear effluent suitable for recycling after chlorination to water supply lakes. The construction cost of the single-stage advanced treatment plant is surprisingly low, about /sup 1///sub 2/ to /sup 1///sub 6/ as much as most conventional ineffective complex plants. This simplified, innovative process developed in independent research at Guilford College is considered by some a breakthrough in waste treatment efficiency and economy. (MU)« less

Review of the methods to form hydrogen peroxide in electrical discharge plasma with liquid water

NASA Astrophysics Data System (ADS)

Locke, Bruce R.; Shih, Kai-Yuan

2011-06-01

This paper presents a review of the literature dealing with the formation of hydrogen peroxide from plasma processes. Energy yields for hydrogen peroxide generation by plasma from water span approximately three orders of magnitude from 4 × 10-2 to 80 g kWh-1. A wide range of plasma processes from rf to pulsed, ac, and dc discharges directly in the liquid phase have similar energy yields and may thus be limited by radical quenching processes at the plasma-liquid interface. Reactor modification using discharges in bubbles and discharges over the liquid phase can provide modest improvements in energy yield over direct discharge in the liquid, but the interpretation is complicated by additional chemical reactions of gas phase components such as ozone and nitrogen oxides. The highest efficiency plasma process utilizes liquid water droplets that may enhance efficiency by sequestering hydrogen peroxide in the liquid and by suppressing decomposition reactions by radicals from the gas and at the interface. Kinetic simulations of water vapor reported in the literature suggest that plasma generation of hydrogen peroxide should approach 45% of the thermodynamics limit, and this fact coupled with experimental studies demonstrating improvements with the presence of the condensed liquid phase suggest that further improvements in energy yield may be possible. Plasma generation of hydrogen peroxide directly from water compares favorably with a number of other methods including electron beam, ultrasound, electrochemical and photochemical methods, and other chemical processes.

High-Efficiency Polycrystalline CdS/CdTe Solar Cells on Buffered Commercial TCO-Coated Glass

NASA Astrophysics Data System (ADS)

Colegrove, E.; Banai, R.; Blissett, C.; Buurma, C.; Ellsworth, J.; Morley, M.; Barnes, S.; Gilmore, C.; Bergeson, J. D.; Dhere, R.; Scott, M.; Gessert, T.; Sivananthan, Siva

2012-10-01

Multiple polycrystalline CdS/CdTe solar cells with efficiencies greater than 15% were produced on buffered, commercially available Pilkington TEC Glass at EPIR Technologies, Inc. (EPIR, Bolingbrook, IL) and verified by the National Renewable Energy Laboratory (NREL). n-CdS and p-CdTe were grown by chemical bath deposition (CBD) and close space sublimation, respectively. Samples with sputter-deposited CdS were also investigated. Initial results indicate that this is a viable dry-process alternative to CBD for production-scale processing. Published results for polycrystalline CdS/CdTe solar cells with high efficiencies are typically based on cells using research-grade transparent conducting oxides (TCOs) requiring high-temperature processing inconducive to low-cost manufacturing. EPIR's results for cells on commercial glass were obtained by implementing a high-resistivity SnO2 buffer layer and by optimizing the CdS window layer thickness. The high-resistivity buffer layer prevents the formation of CdTe-TCO junctions, thereby maintaining a high open-circuit voltage and fill factor, whereas using a thin CdS layer reduces absorption losses and improves the short-circuit current density. EPIR's best device demonstrated an NREL-verified efficiency of 15.3%. The mean efficiency of hundreds of cells produced with a buffer layer between December 2010 and June 2011 is 14.4%. Quantum efficiency results are presented to demonstrate EPIR's progress toward NREL's best-published results.

Washington State University Algae Biofuels Research

DOE Office of Scientific and Technical Information (OSTI.GOV)

chen, Shulin; McCormick, Margaret; Sutterlin, Rusty

The goal of this project was to advance algal technologies for the production of biofuels and biochemicals by establishing the Washington State Algae Alliance, a collaboration partnership among two private companies (Targeted Growth, Inc. (TGI), Inventure Chemicals (Inventure) Inc (now Inventure Renewables Inc) and Washington State University (WSU). This project included three major components. The first one was strain development at TGI by genetically engineering cyanobacteria to yield high levels of lipid and other specialty chemicals. The second component was developing an algal culture system at WSU to produce algal biomass as biofuel feedstock year-round in the northern states ofmore » the United States. This system included two cultivation modes, the first one was a phototrophic process and the second a heterotrophic process. The phototrophic process would be used for algae production in open ponds during warm seasons; the heterotrophic process would be used in cold seasons so that year-round production of algal lipid would be possible. In warm seasons the heterotrophic process would also produce algal seeds to be used in the phototrophic culture process. Selected strains of green algae and cyanobacteria developed by TGI were tested in the system. The third component was downstream algal biomass processing by Inventure that included efficiently harvesting the usable fuel fractions from the algae mass and effectively isolating and separating the usable components into specific fractions, and converting isolated fractions into green chemicals.« less

Delivery of multiple siRNAs using lipid-coated PLGA nanoparticles for treatment of prostate cancer.

PubMed

Hasan, Warefta; Chu, Kevin; Gullapalli, Anuradha; Dunn, Stuart S; Enlow, Elizabeth M; Luft, J Christopher; Tian, Shaomin; Napier, Mary E; Pohlhaus, Patrick D; Rolland, Jason P; DeSimone, Joseph M

2012-01-11

Nanotechnology can provide a critical advantage in developing strategies for cancer management and treatment by helping to improve the safety and efficacy of novel therapeutic delivery vehicles. This paper reports the fabrication of poly(lactic acid-co-glycolic acid)/siRNA nanoparticles coated with lipids for use as prostate cancer therapeutics made via a unique soft lithography particle molding process called Particle Replication In Nonwetting Templates (PRINT). The PRINT process enables high encapsulation efficiency of siRNA into neutral and monodisperse PLGA particles (32-46% encapsulation efficiency). Lipid-coated PLGA/siRNA PRINT particles were used to deliver therapeutic siRNA in vitro to knockdown genes relevant to prostate cancer. © 2011 American Chemical Society

Sonochemistry: what potential for conversion of lignocellulosic biomass into platform chemicals?

PubMed

Chatel, Gregory; De Oliveira Vigier, Karine; Jérôme, François

2014-10-01

This Review focuses on the use of ultrasound to produce chemicals from lignocellulosic biomass. However, the question about the potential of sonochemistry for valorization/conversion of lignocellulosic biomass into added-value chemicals is rather conceptual. Until now, this technology has been mainly used for the production of low-value chemicals such as biodiesel or as simple method for pretreatment or extraction. According to preliminary studies reported in literature, access to added-value chemicals can be easily and sometimes solely obtained by the use of ultrasound. The design of sonochemical parameters offers many opportunities to develop new eco-friendly and efficient processes. The goal of this Review is to understand why the use of ultrasound is focused rather on pretreatment or extraction of lignocellulosic biomass rather than on the production of chemicals and to understand, through the reported examples, which directions need to be followed to favor strategies based on ultrasound-assisted production of chemicals from lignocellulosic biomass. We believe that ultrasound-assisted processes represent an innovative approach and will create a growing interest in academia but also in the industry in the near future. Based on the examples reported in the literature, we critically discuss how sonochemistry could offer new strategies and give rise to new results in lignocellulosic biomass valorization. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Formation of Cosmic Carbon Dust Analogues in Plasma Reactors

NASA Technical Reports Server (NTRS)

Salama, Farid

2016-01-01

Cosmic carbon dust analogs are produced, processed and analyzed in the laboratory using NASA's COSmIC (COSmIC Simulation Chamber) Facility. These experiments can be used to derive information on the most efficient molecular precursors in the chemical pathways that eventually lead to the formation of carbonaceous grains in the stellar envelopes of carbon stars.

Computation of Reacting Flows in Combustion Processes

NASA Technical Reports Server (NTRS)

Keith, Theo G., Jr.; Chen, K.-H.

2001-01-01

The objective of this research is to develop an efficient numerical algorithm with unstructured grids for the computation of three-dimensional chemical reacting flows that are known to occur in combustion components of propulsion systems. During the grant period (1996 to 1999), two companion codes have been developed and various numerical and physical models were implemented into the two codes.

Gasification: A Cornerstone Technology

ScienceCinema

Gary Stiegel

2017-12-09

NETL is a leader in the science and technology of gasification - a process for the conversion of carbon-based materials such as coal into synthesis gas (syngas) that can be used to produce clean electrical energy, transportation fuels, and chemicals efficiently and cost-effectively using domestic fuel resources. Gasification is a cornerstone technology of 21st century zero emissions powerplants

Mature landfill leachate treatment by coagulation/flocculation combined with Fenton and solar photo-Fenton processes.

PubMed

Amor, Carlos; De Torres-Socías, Estefanía; Peres, José A; Maldonado, Manuel I; Oller, Isabel; Malato, Sixto; Lucas, Marco S

2015-04-09

This work reports the treatment of a mature landfill leachate through the application of chemical-based treatment processes in order to achieve the discharge legal limits into natural water courses. Firstly, the effect of coagulation/flocculation with different chemicals was studied, evaluating the role of different initial pH and chemicals concentration. Afterwards, the efficiency of two different advanced oxidation processes for leachate remediation was assessed. Fenton and solar photo-Fenton processes were applied alone and in combination with a coagulation/flocculation pre-treatment. This physicochemical conditioning step, with 2 g L(-1) of FeCl3 · 6H2O at pH 5, allowed removing 63% of COD, 80% of turbidity and 74% of total polyphenols. Combining the coagulation/flocculation pre-treatment with Fenton reagent, it was possible to reach 89% of COD removal in 96 h. Moreover, coagulation/flocculation combined with solar photo-Fenton revealed higher DOC (75%) reductions than single solar photo-Fenton (54%). In the combined treatment (coagulation/flocculation and solar photo-Fenton), it was reached a DOC reduction of 50% after the chemical oxidation, with 110 kJ L(-1) of accumulated UV energy and a H2O2 consumption of 116 mM. Toxicity and biodegradability assays were performed to evaluate possible variations along the oxidation processes. After the combined treatment, the leachate under study presented non-toxicity but biodegradability increased. Copyright © 2014 Elsevier B.V. All rights reserved.

Efficient mixing of the solar nebula from uniform Mo isotopic composition of meteorites.

PubMed

Becker, Harry; Walker, Richard J

2003-09-11

The abundances of elements and their isotopes in our Galaxy show wide variations, reflecting different nucleosynthetic processes in stars and the effects of Galactic evolution. These variations contrast with the uniformity of stable isotope abundances for many elements in the Solar System, which implies that processes efficiently homogenized dust and gas from different stellar sources within the young solar nebula. However, isotopic heterogeneity has been recognized on the subcentimetre scale in primitive meteorites, indicating that these preserve a compositional memory of their stellar sources. Small differences in the abundance of stable molybdenum isotopes in bulk rocks of some primitive and differentiated meteorites, relative to terrestrial Mo, suggest large-scale Mo isotopic heterogeneity between some inner Solar System bodies, which implies physical conditions that did not permit efficient mixing of gas and dust. Here we report Mo isotopic data for bulk samples of primitive and differentiated meteorites that show no resolvable deviations from terrestrial Mo. This suggests efficient mixing of gas and dust in the solar nebula at least to 3 au from the Sun, possibly induced by magnetohydrodynamic instabilities. These mixing processes must have occurred before isotopic fractionation of gas-phase elements and volatility-controlled chemical fractionations were established.

Study on chemical mechanical polishing of silicon wafer with megasonic vibration assisted.

PubMed

Zhai, Ke; He, Qing; Li, Liang; Ren, Yi

2017-09-01

Chemical mechanical polishing (CMP) is the primary method to realize the global planarization of silicon wafer. In order to improve this process, a novel method which combined megasonic vibration to assist chemical mechanical polishing (MA-CMP) is developed in this paper. A matching layer structure of polishing head was calculated and designed. Silicon wafers are polished by megasonic assisted chemical mechanical polishing and traditional chemical mechanical polishing respectively, both coarse polishing and precision polishing experiments were carried out. With the use of megasonic vibration, the surface roughness values Ra reduced from 22.260nm to 17.835nm in coarse polishing, and the material removal rate increased by approximately 15-25% for megasonic assisted chemical mechanical polishing relative to traditional chemical mechanical polishing. Average Surface roughness values Ra reduced from 0.509nm to 0.387nm in precision polishing. The results show that megasonic assisted chemical mechanical polishing is a feasible method to improve polishing efficiency and surface quality. The material removal and finishing mechanisms of megasonic vibration assisted polishing are investigated too. Copyright © 2017 Elsevier B.V. All rights reserved.

Role of graphene on the surface chemical reactions of BiPO4-rGO with low OH-related defects.

PubMed

Gao, Erping; Wang, Wenzhong

2013-11-21

Graphene has been widely introduced into photocatalysis to enhance photocatalytic performance due to its unique physical and chemical properties. However, the effect of graphene on the surface chemical reactions of photocatalysis has not been clearly researched, which is important for photocatalysis because photocatalytic reactions ultimately occur on the catalyst surface. Herein, a two-step solution-phase reaction has been designed to synthesize quasi-core-shell structured BiPO4-rGO cuboids and the role of graphene on the surface chemical reactions was investigated in detail. It was found that the introduced graphene modified the process and the mechanism of the surface chemical reactions. The change mainly originates from the interaction between graphene and the adsorbed O2 molecule. Due to the electron transfer from graphene to adsorbed O2, graphene could tune the interfacial charge transport and efficiently activate molecular oxygen to form O2˙(-) anions as the major oxidation species instead of ˙OH. In addition, the two-step synthesis approach could efficiently suppress the formation of OH-related defects in the lattice. As a result, the BiPO4-rGO composite exhibited superior photocatalytic activity to BiPO4 and P25, about 4.3 times that of BiPO4 and 6.9 times that of P25.