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  • 11
    Publication Date: 2018-03-13
    Description: A systematic framework has been developed to determine the optimal price of a completely new (or existing but improved) chemical product that is being launched (or re-launched) in the presence of a competing product. It has four elements. The first is a pricing model derived from a utility function with constant elasticity of substitution. It accounts for consumers' awareness of the product under consideration and consumer preferences. The second is a set of relationships relating the consumer preferences and the relevant sales data available to a re-launched product to the parameters of the pricing model. In the absence of sales data for a completely new product, the third element is a set of heuristics for choosing a pricing strategy and estimates of the pricing model parameters. The optimal price is finally determined in a profit maximization problem subject to the market size as well as any other constraints. This pricing framework allows simultaneous optimization of product quality and price using product specifications as design variables. It is illustrated with an example on energy drinks. This article is protected by copyright. All rights reserved.
    Print ISSN: 0001-1541
    Electronic ISSN: 1547-5905
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 12
    Publication Date: 2018-03-06
    Description: Molybdenum-oxide (MoO 3 ) is a promising catalyst candidate for hydrodeoxygenation (HDO) of pyrolysis vapor or liquefaction products to renewable fuels or value-added chemicals. We used density functional theory to study the mechanism and active site requirements for HDO of furan over the MoO 3 (010) facet and contrast our results with prior work on hydrodesulfurization (HDS) of thiophene over MoO 2 model catalysts. The potential energy diagram for HDO over a realistically terminated MoO 3 (010) surface facet reveals that the elementary reaction steps for deoxygenation are facile, but the formation of oxygen-vacancies is slow and endothermic. In general, HDO over MoO 3 and HDS over MoS 2 exhibit mechanistic similarities, which suggests that knowledge transfer from the mature HDS system to the emerging field of HDO catalysis is possible. For example, transition metal promotion of MoO 3 resulted in an improvement in the kinetics and thermodynamics of oxygen vacancy formation, similar to Co and Ni promotion of MoS 2 . This article is protected by copyright. All rights reserved.
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    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 13
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    Wiley-Blackwell
    Publication Date: 2018-03-06
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    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 14
    Publication Date: 2018-03-06
    Description: The effect of the Volume-to-Surface (V/S) ratio on the catalytic performance of a La-Sr/CaO catalyst in a fixed bed reactor under oxidative coupling of methane (OCM) conditions is investigated by adjusting the amount of diluent in the catalyst bed. It was observed experimentally that the catalyst activity, C 2 selectivity and C 2 H 4 /C 2 H 6 ratio are all favored at high V/S ratios. The total void volume, available in the intraparticle and the interstitial phase, was considered. A comprehensive OCM microkinetic model, explicitly distinguishing between these two phases, allowed accounting for the observed dependence of catalytic performance on V/S ratio. The major experimentally implemented variation in interstitial volume available for reaction, provoked also changes in radical concentration profiles in intraparticle phase. Given the high reaction rates occurring at this location, the experimentally observed effects with varying the V/S ratio, are attributed to concentration and, hence, reaction rate changes occurring mainly in the intraparticle phase. This article is protected by copyright. All rights reserved.
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    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 15
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    Wiley-Blackwell
    Publication Date: 2018-03-06
    Description: Cover illustration. Additive manufacturing offers the capability to build reactors and components with complex geometries and topologies previously unaccessible to the reactor design engineer. These capabilities could allow a transition from site-built facilities [left, courtesy of Matt Jiggins, https://www.flickr.com/photos/mattjiggins/3948811131 ] to optimized additively manufactured designs [right, examples of metal objects built using Direct Metal Laser Sintering (DMLS) courtesy of Oakridge National Laboratory, https://www.flickr.com/photos/oakridgelab/9067742195 ]. 10.1002/aic.16118
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    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 16
    Publication Date: 2018-03-06
    Description: Linkers are critical components of fusion proteins, as they physically separate individual domains to enable each to fold and retain function. The role of peptide linker properties was investigated for fusions of a leucine zipper immobilization domain (Z E ) to a chimeric amine dehydrogenase (AmDH) or a formate dehydrogenase (cbFDH). A linker library was developed, which varied in length, orientation, and proline content, as a way to vary stiffness. Fusion proteins were characterized by melting temperature, immobilization ability, cofactor binding, and kinetic activity. The best linker candidate for each enzyme was tested in a dual-functionality assay, where enzymatic activity of fusions immobilized in protein-inorganic supraparticles was greater than 80% after washing. The best linker for AmDH was completely different than that for cbFDH. This work highlights the need to experimentally assess linker properties in the design of new fusion proteins and provides a linker library for this purpose. This article is protected by copyright. All rights reserved.
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    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 17
    Publication Date: 2018-02-28
    Description: This paper aims at developing a generic multi-actor multi-criteria decision making (MAMCDM) method for life cycle sustainability assessment (LCSA) of industrial systems under uncertainties, which can help multiple stakeholders/decision-makers to prioritize the alternative industrial systems in a group decision-making approach. The interval best-worst method, which can address the ambiguity, vagueness and hesitations existing in human's judgments, was developed for determining the weight of the criteria in LCSA. The consensus convergence model was developed for aggregating the relative importance of each criterion determined by different stakeholders/decision-makers into an interval weight. Afterwards, a novel multi-criteria decision making method which can address the decision-making matrix with interval numbers was developed to prioritize industrial systems under data uncertainties. An illustrative case has been studied by the developed model, and it reveals that the developed model allows multiple stakeholders/decision-makers to participate in the decision-making processes and prioritize industrial systems accurately by using interval numbers. This article is protected by copyright. All rights reserved.
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  • 18
    Publication Date: 2018-02-28
    Description: ABSTRACT Homogeneous acid-catalyzed hydrolysis of oat β-glucan, which contains β-(1,4) and β-(1,3) glycosidic bonds in a nonrandom order, was studied at 353 K using HCl and H 2 SO 4 . A new structured kinetic model was developed that takes into account the difference in the reactivity of β-(1,4) and β-(1,3) glycosidic bonds as well as their positions in the polysaccharide chain. In order to minimize the correlation of adjustable parameters in the new model, the reactivities of these bonds were studied independently ( T = 313…363 K; c H+ = 0.1…2 mol/L) using cellobiose and laminaribiose. The difference in kinetic parameters (e.g. T = 338 K: k β-(1,4) = 0.693 × 10 −3 L/mol/min, k β-(1,3) = 1.027 × 10 −3 L/mol/min) was found to be statistically significant ( P  〈 0.0001), which emphasizes the need for the structured model for oat β-glucan hydrolysis. The simulation of β-glucan hydrolysis with the new model was in good agreement with the experimental data and shows improvement over existing non-structured models. This article is protected by copyright. All rights reserved.
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    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 19
    Publication Date: 2018-02-28
    Description: Plasma gasification is a process intensification technique in which the prevailing high temperatures accelerate the reactions resulting in a significant size reduction of the gasifier. Conventionally, a gasifier is modeled using either a thermodynamic or a kinetic approach. Present work proposes a novel method of modeling the plasma gasification process which combines these two approaches. The process is modelled as a combination of two regions: a Plasma Gasifier Zone (PGZ) and a Quenching Zone (QZ). PGZ, where gasification of feedstock takes place at high temperatures is modeled by thermodynamic equilibrium. QZ, where the syngas produced in the PGZ cools down, is modeled by kinetic approach. The hybrid approach captures the behavior more accurately and requires less computational effort. The proposed hybrid model is validated with experimental data from literature. The model is used to analyze the influence of radicals in plasma gasification and the performance for different operating conditions. This article is protected by copyright. All rights reserved.
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  • 20
    Publication Date: 2018-02-28
    Description: Gas hydrate formation is a main flow assurance concern in oil and gas production. Understanding the effects of the introduction of solid particles in the slug flow is essential to improve the efficiency and safety of multiphase production. The purpose of the present work is the experimental characterization of solid-liquid-gas slug flow with the presence of dispersed hydrate-like particles. Experimental tests were carried out with inert polyethylene particles of 0.5-mm diameter with density similar to gas hydrates (938 kg/m 3 ). The test section comprised a 26-mm ID, 9-m length horizontal duct of transparent Plexiglas. High Speed Imaging and resistivity sensors was used to analyze the slug flow unit cell behavior due to the introduction of the solid particles and to measure the unit cell translational velocity, the slug flow frequency, the bubble and slug lengths, and the phase fractions. Two distinct concentrations of solid particles were tested (6 and 8 g/dm 3 ). This article is protected by copyright. All rights reserved.
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    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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