Search results for " Simulation"
showing 10 items of 4034 documents
H2 hitting on graphene supported palladium cluster: molecular dynamics simulations
2016
Dissociative adsorption of impinging gas-phase molecular hydrogen (H2) on a palladium cluster (Pd4) supported on defective graphene (C47) was studied by periodic density functional theory molecular dynamics simulations. The H2 on Pd4/C47 collision dynamics were investigated without any particular constraint, except for the Born–Oppenheimer approximation. The study, which had mostly method-testing aims, provided, anyway, valuable information about the collision kinetics of gas-phase molecular hydrogen. This was treated as an impacting projectile having different kinetic energy values. At lower kinetic energies, sticking was ruled by steering effects imputable to the Pd cluster that easily re…
Towards the development of a biogeochemical model for addressing the eutrophication problems in the shallow hypertrophic lagoon of Albufera de Valenc…
2015
Abstract Our study presents a biogeochemical model that aims to reproduce the ecological processes shaping phytoplankton dynamics in the shallow hypertrophic lagoon of Albufera de Valencia (Spain). The model simulates two elemental cycles (N and P), two phytoplankton groups (cyanobacteria and non-cyanobacteria), and heterotrophic bacteria. First, we examine the capacity to reproduce the observed plankton patterns, while accommodating the uncertainty related to the external forcing factors of our model (hydraulic and nutrient loading, zooplankton grazing). Sensitivity analysis is also performed to identify the most influential parameters and therefore to shed light on the knowledge needed to…
European small portable rainfall simulators: A comparison of rainfall characteristics
2013
28 páginas, 6 figuras, 2 tablas.- The definitive version is available on: http://www.sciencedirect.com/science/article/pii/S0341816213001252
Simulation of the operation of detention tanks.
2005
The performance of detention tanks with different characteristics (volume, on-line and off-line arrangement) has been evaluated according to the results of a continuous simulation. The conceptual simplified model for sewer system simulation (COSMOSS) model has been used to simulate the operation of the tanks. The differences between the performance of on-line and off-line tanks and the influence of the characteristics of different catchments have been examined. According to the results of the simulations detention tanks demonstrated good performances in total suspended solids retention and this evenience can certainly help to prevent water pollution of receiving water bodies in urban areas,…
Effective run-off flow length over biological soil crusts on silty loam soils in drylands
2014
This study was undertaken in the context of the research projects PECOS (REN2003-04570/GLO) and PREVEA (CGL2007-63258/BOS), both funded by the Spanish National Plan for RD&I and by the European ERDF Funds (European Regional Development Fund), as well as the projects COSTRAS (Excellence project RNM-3614) funded by the Junta de Andalucia (Autonomous Government of Andalusia, Spain), and SCIN (Soil Crust Inter-National, PRI-PIMBDV-2011-0874, European project of ERA-NET BIODIVERSA, the Spanish team being funded by the Spanish Ministry of Economy and Competitiveness)
Micropollutants throughout an integrated urban drainage model: Sensitivity and uncertainty analysis
2017
Abstract The paper presents the sensitivity and uncertainty analysis of an integrated urban drainage model which includes micropollutants. Specifically, a bespoke integrated model developed in previous studies has been modified in order to include the micropollutant assessment (namely, sulfamethoxazole – SMX). The model takes into account also the interactions between the three components of the system: sewer system (SS), wastewater treatment plant (WWTP) and receiving water body (RWB). The analysis has been applied to an experimental catchment nearby Palermo (Italy): the Nocella catchment. Overall, five scenarios, each characterized by different uncertainty combinations of sub-systems (i.e…
1-D numerical simulation of sediment transport in alluvial channel beds: study cases
2011
ABSTRACT Quantitative estimate of sediment transport processes is important especially in river-control engineering and for water management projects. In this paper the sediment routing of a 1-D model is presented and applied to some study cases. The procedure simulates the variations of bed roughness conditions due to natural sorting and to generation and migration of bed forms. The suspended-load and the bed-load are treated separately.
The influence of aspect and vegetation on seasonal changes in erosion under rainfall simulation on a clay soil in Spain
1998
The seasonal and spatial variability of soil erosion under contrasting slope aspects in southeastern Spain was studied by performing and interpreting 84 rainfall simulation experiments conducted at an intensity of 55 mm h−1 during 1 h. The vegetated soils on the north-facing slope and the upper afforested parts had negligible sediment yield, runoff and erosion, while the bare soils on the south-facing slope had very high runoff rates. Runoff sediment concentration decreased over time during simulated rainfall events on the vegetated areas while it increased on the bare ones. Solute release decreased over time on both surface types. Seasonally, runoff sediment concentration was highest in a…
Finite-Element Modeling of Floodplain Flow
2000
A new methodology for a robust solution of the diffusive shallow water equations is proposed. The methodology splits the unknowns of the momentum and continuity equations into one kinematic and one parabolic component. The kinematic component is solved using the slope of the water level surface computed in the previous time-step and a zero-order approximation of the water head inside the mass-balance area around each node of the mesh. The parabolic component is found by applying a standard finite-element Galerkin procedure, where the source terms can be computed from the solution of the previous kinematic problem. A simple 1D case, with a known analytical solution, is used to test the accur…
Geographical variation in pharmacological prescription
2009
Promoting rational drug administration in treatments is one of the most important issues in Public Health. Bayesian hierarchical models are a very useful tool for incorporating geographical information into the analysis of pharmacological prescription data. They allow the mapping of spatial components which express the trend of geographical variation. In addition, these models are able to deal with uncertainty in a sequential way through prior distributions on parameters and hyperparameters. Bayes' theorem combines all types of information and provides the posterior distribution which is computed through Markov Chain Monte Carlo (MCMC) simulation methods. Simulated data for pharmacological …