186,281 research outputs found
The Quasi-Liquid Layer of ice revisited: the role of temperature gradients and tip chemistry in AFM studies
No full textIn this work, we present new results of atomic force microscopy (AFM) force curves over pure ice at different temperatures, performed with two different environmental chambers and different kinds of AFM tips. Our results provide insight to resolve the controversy on the interpretation of experimental AFM curves on the ice–air interface for determining the thickness of the quasi-liquid layer (QLL). The use of a Mini Environmental Chamber (mEC) that provides an accurate control of the temperature and humidity of the gases in contact with the sample allowed us for the first time to get force curves over the ice–air interface without jump-in (jump of the tip onto the ice surface, widely observed in previous studies). These results suggest a QLL thickness below 1 nm within the explored temperature range (−7 to −2 ∘C). This upper bound is significantly lower than most of the previous AFM results, which suggests that previous authors overestimate the equilibrium QLL thickness, due to temperature gradients, or indentation of ice during the jump-in. Additionally, we proved that the hydrophobicity of AFM tips affects significantly the results of the experiments. Overall, this work shows that, if one chooses the experimental conditions properly, the QLL thicknesses obtained by AFM lie over the lower bound of the highly disperse results reported in the literature. This allows estimating upper boundaries for the QLL thicknesses, which is relevant to validate QLL theories and to improve multiphase atmospheric chemistry models.Fil: Gelman Constantin, Julián. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; ArgentinaFil: Gianetti, Melisa Mariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Longinotti, María Paula. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Corti, Horacio Roberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentin
Computational investigation of structure, dynamics and nucleation kinetics of a family of modified Stillinger-Weber model fluids in bulk and free-standing thin films
No full textIn recent years, computer simulations have found increasingly widespread use as powerful tools for studying phase transitions in wide variety of systems. In the particular and very important case of aqueous systems, the commonly used force-fields tend to offer quite different predictions with respect to a wide range of thermodynamic and kinetic properties, including the ease of ice nucleation, the propensity to freeze at a vapor-liquid interface, and the existence of a liquid-liquid phase transition. It is thus of fundamental and practical interest to understand how different features of a given water model affect its thermodynamic and kinetic properties. In this work, we use the forward-flux sampling technique to study the crystallization kinetics of a family of modified Stillinger-Weber (SW) potentials with energy (ε) and length (σ) scales taken from the monoatomic water (mW) model, but with different tetrahedrality parameters (λ). By increasing λ from 21 to 24, we observe the nucleation rate increases by 48 orders of magnitude at a supercooling of ζ = T/Tm = 0.845. Using classical nucleation theory, we are able to demonstrate that this change can largely be accounted for by the increase in Δμ, the thermodynamic driving force. We also perform rate calculations in freestanding thin films of the supercooled liquid, and observe a crossover from surface-enhanced crystallization at λ = 21 to bulk-dominated crystallization for λ ≥ 22.Fil: Gianetti, Melisa Mariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Haji Akbari, Amir. University of Princeton; Estados UnidosFil: Longinotti, María Paula. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Debenedetti, Pablo Gastón. University of Princeton; Estados Unido
CFD modeling of natural gas engine combustion with a flame area evolution model
No full textA detailed description of the combustion process is fundamental in modern spark-ignition (SI) engines to guarantee control of pollutants formation and to meet future emission standards. Within this context, computational fluid dynamics (CFD) simulations represent an efficient and powerful tool to understand the different involved phenomena as mixture ignition, combustion development and pollutant formation. Object of this work is to find a CFD methodology to model premixed natural gas light-duty SI engines. The ignition stage is modeled by means of a simplified Eulerian spherical kernel approach (deposition model). Then, turbulent flame propagation is reproduced by means of two variables (regress variable and flame wrinkling factor) as proposed by Weller. Laminar to turbulent flame transition is taken into account using Herweg and Maly formulation and a zero-dimensional flame kernel radius evolution. Tabulated kinetics is used to estimate chemical composition of burned gases and to speed up the simulation since no chemical equilibrium calculations are necessary. The proposed CFD methodology was validated with experimental data of in-cylinder pressure, heat release rate and gross indicated work at different loads and speeds
Author-wise bibliometric analysis based on entropy.
No full textAuthor-wise bibliometric analysis based on entropy.</p
Going Beyond Counting First Authors in Author Co-citation Analysis
No full textThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
Development and Validation of a CFD Combustion Model for Natural Gas Engines Operating with Different Piston Bowls
No full textNowadays, an accurate and precise description of the combustion phase is essential in spark-ignition (SI) engines to drastically reduce pollutant and greenhouse gas (GHG) emissions and increase thermal efficiency. To this end, computational fluid dynamics (CFD) can be used to study the different phenomena involved, such as the ignition of the charge, combustion development, and pollutant formation. In this work, a validation of a CFD methodology based on the flame area model (FAM) was carried out to model the combustion process in light-duty SI engines fueled with natural gas. A simplified spherical kernel approach was used to model the ignition phase, whereas turbulent flame propagation was described through two variables. A zero-dimensional evolution of the flame kernel radius was used in combination with the Herweg and Maly formulation to take the laminar-to-turbulent flame transition into account. To estimate the chemical composition of burnt gas, two different approaches were considered—one was based on tabulated kinetics, and the other was based on chemical equilibrium. Assessment of the combustion model was first performed by using different operating points of a light-duty SI engine fueled with natural gas and by using the original piston. The results were validated by using experimental data on the in-cylinder pressure, apparent heat release rate, and pollutant emissions. Afterward, two other different piston bowl geometries were investigated to study the main differences between one solution and the others. The results showed that no important improvements in terms of combustion efficiency were obtained by using the new piston bowl shapes, which was mainly due to the very low ((Formula presented.)) or null increase in turbulent kinetic energy during the compression stroke and due to the higher heat losses ((Formula presented.)) associated with the increased surface area of the new piston geometries
Appropriate Similarity Measures for Author Cocitation Analysis
No full textWe provide a number of new insights into the methodological discussion about author cocitation analysis. We first argue that the use of the Pearson correlation for measuring the similarity between authors’ cocitation profiles is not very satisfactory. We then discuss what kind of similarity measures may be used as an alternative to the Pearson correlation. We consider three similarity measures in particular. One is the well-known cosine. The other two similarity measures have not been used before in the bibliometric literature. Finally, we show by means of an example that our findings have a high practical relevance.information science;Pearson correlation;cosine;similarity measure;author cocitation analysis
CFD modeling of combustion of a natural gas Light-Duty Engine
No full textA CFD methodology to model natural gas Light-Duty SI (Spark-Ignition) engines is here proposed. The ignition stage is modeled by means of a simplified Eulerian spherical kernel approach (deposition model). Then, the fully turbulent flame propagation is reproduced by the Coherent Flamelet Model (CFM), where turbulence effects are taken into account by considering the flame surface density evolution. The laminar to turbulent flame transition is managed by the CFM model and it is assumed to occur when the flame radius reaches a fraction of the integral length scale. This methodology was validated with experimental data of in-cylinder pressure and heat release rate at different loads and speeds
A 3D-CFD Methodology for Combustion Modeling in Active Prechamber SI Engines Operating with Natural Gas
No full textActive prechamber combustion systems for SI engines represent a feasible and effective solution in reducing fuel consumption and pollutant emissions for both marine and ground heavy-duty engines. However, reliable and low-cost numerical approaches need to be developed to support and speed-up their industrial design considering their geometry complexity and the involved multiple flow length scales. This work presents a CFD methodology based on the RANS approach for the simulation of active prechamber spark-ignition engines. To reduce the computational time, the gas exchange process is computed only in the prechamber region to correctly describe the flow and mixture distributions, while the whole cylinder geometry is considered only for the power-cycle (compression, combustion and expansion). Outside the prechamber the in-cylinder flow field at IVC is estimated from the measured swirl ratio. A flame area evolution model combined with a deposition ignition model is used to describe the flame propagation process. Experimental data from a single-cylinder engine were used to validate the proposed approach. Different operating conditions were considered, to evaluate the effects of an increasingly lean mixture inside the main chamber, as well as the impact of a load variation. Comparison between computed and experimental data of in-cylinder pressure and heat release rate allowed to assess the capability of the modelling strategy in capturing the different phases of the combustion process originating by turbulent jet ignition
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