1,996 research outputs found

    Quasi-saddles as relevant points of the potential energy surface in the dynamics of supercooled liquids

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    The supercooled dynamics of a Lennard-Jones model liquid is numerically investigated studying relevant points of the potential energy surface, i.e. the minima of the square gradient of total potential energy VV. The main findings are: ({\it i}) the number of negative curvatures nn of these sampled points appears to extrapolate to zero at the mode coupling critical temperature TcT_c; ({\it ii}) the temperature behavior of n(T)n(T) has a close relationship with the temperature behavior of the diffusivity; ({\it iii}) the potential energy landscape shows an high regularity in the distances among the relevant points and in their energy location. Finally we discuss a model of the landscape, previously introduced by Madan and Keyes [J. Chem. Phys. {\bf 98}, 3342 (1993)], able to reproduce the previous findings.Comment: To be published in J. Chem. Phy

    Chemical Looping for Combustion of Solid Biomass: A Review

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    Chemical looping combustion of solid biomass has the unique potential to generate energy with negative carbon emissions, while entailing an energy penalty compared to traditional combustion that is lower than that of the competing carbon capture technologies. In spite of these attractive features, research is still needed to bring the technology to a fully commercial level. The reason relies on a number of technological challenges mostly related to the oxygen carrier performance, its possible detrimental interaction with the biomass ash components, and the efficiency of the gas-solid contact with the biomass volatiles. This review is focused on these specific challenges which are particularly relevant when firing biomass rather than coal in a solid-based chemical looping combustion process. Special attention will be given to the most recent findings published on these aspects. Related performance evaluation by modeling, system integration, and techno-economic analysis will also be briefly reviewed

    Evaluation of configurational entropy of a model liquid from computer simulations

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    Computer simulations have been employed in recent years to evaluate the configurational entropy changes in model glass-forming liquids. We consider two methods, both of which involve the calculation of the `intra-basin' entropy as a means for obtaining the configurational entropy. The first method involves the evaluation of the intra-basin entropy from the vibrational frequencies of inherent structures, by making a harmonic approximation of the local potential energy topography. The second method employs simulations that confine the liquid within a localized region of configuration space by the imposition of constraints; apart from the choice of the constraints, no further assumptions are made. We compare the configurational entropies estimated for a model liquid (binary mixture of particles interacting {\it via} the Lennard-Jones potential) for a range of temperatures, at fixed density.Comment: 10 pages, 5 figures, Proceedings of "Unifying Concepts in Glass Physics" Trieste 1999 (to appear in J. Phys. Cond. Mat.

    experimental and numerical analyses of a spark ignition engine firing with n butanol gasoline blends at high load operation

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    Abstract In this paper, the potential of alcohol-gasoline blends as fuels for spark-ignition engines has been evaluated. The general purpose of the work is to verify the possibility of incrementing the bio-fuels penetration in the market of transportation fuels. As it is well known, bio-mass derived fuels, in fact, could significantly reduce the CO2 emissions of energy thermal systems. The behavior of a small, turbocharged spark-ignition engine, firing with gasoline-butanol blends, has been analyzed. Analyses have been carried out by means of both experimental tests and numerical simulations. In previous works, engine main performances have been illustrated and discussed. Here, experimental tests have been carried out in order to compare the engine knock resistance and the obtainable fuel conversion efficiency when the engine is fueled by pure gasoline or gasoline-butanol blends at high load operation. Furthermore, one dimensional numerical analyses have been utilized in order to compare the engine behavior, at different operating points, when it is firing with pure gasoline or pure butanol. In general, the obtained results seem to indicate that butanol (produced by bio-masses) is a viable alternative to fossil fuels in the way of CO2 emission reduction

    Direct Dry Carbonation of Mining and Industrial Wastes in a Fluidized Bed for Offsetting Carbon Emissions

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    The direct dry mineral carbonation of selected mining and industrial wastes, using carbon dioxide derived from combustion flue gas, was evaluated. Specifically, coal fly ash from two Australian brown coal-fired power plants, red mud from the refinement of bauxite into alumina, and diamond tailings were considered, due to their relevant residual alkali content. These materials were tested in a laboratory-scale fluidized bed reactor at different temperatures (300–450° C), in a reactive environment that simulated the typical CO2 concentration in a combustion flue gas. The experimental results showed a low, but still appreciable, CO2 capture capacity for three of the tested materials, which appears to be more favorable in the lower temperature range and with relatively fast kinetics, indicating the practical relevance of the process. One of the fly ashes exhibited a different behavior; starting at 350° C, the sorbent began to release CO2, rather than absorb it. This suggested that the sorbent was already extensively carbonated by weathering before the tests. This study provides some evidence for the possible viability of recycling mining waste and for the circular economy in offsetting carbon emissions in the mining industry
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