Search results for "Water model"
showing 10 items of 18 documents
Atmospheric correction of ENVISAT/MERIS data over inland waters: Validation for European lakes
2010
Traditional methods for aerosol retrieval and atmospheric correction of remote sensing data over water surfaces are based on the assumption of zero water reflectance in the near-infrared. Another type of approach which is becoming very popular in atmospheric correction over water is based on the simultaneous retrieval of atmospheric and water parameters through the inversion of coupled atmospheric and bio-optical water models. Both types of approaches may lead to substantial errors over optically-complex water bodies, such as case II waters, in which a wide range of temporal and spatial variations in the concentration of water constituents is expected. This causes the water reflectance in t…
Sequential and joint hydrogeophysical inversion using a field-scale groundwater model with ERT and TDEM data
2013
Abstract. Increasingly, ground-based and airborne geophysical datasets are used to inform groundwater models. Recent research focuses on establishing coupling relationships between geophysical and groundwater parameters. To fully exploit such information, this paper presents and compares a joint hydrogeophysical inversion (JHI) approach and sequential hydrogeophysical inversion (SHI) approach to inform a field-scale groundwater model with Time Domain Electromagnetic (TDEM) and Electrical Resistivity Tomography (ERT) data. The implemented SHI coupled inverted geophysical models with groundwater parameters, where the strength of the coupling was based on geophysical parameter resolution. To t…
Role of modeling uncertainty in the estimation of climate and socioeconomic impact on river water quality. J. of Water Resources Planning and Managem…
2012
Climate is one of the most important factors leading to changes in the hydrologic and environmental characteristics of river basins. When considering water quality, the natural factors should be weighed against anthropogenic factors (such as urbanization, increased population, and higher water demand) that may increase or decrease the effect of climatic modifications. Any prediction of future climatic and anthropogenic scenarios is affected by uncertainty and the modelling tools that are used for evaluating their impact on receiving water bodies. The present paper is aimed at investigating the complexity of such analyses and the uncertainty related to future impact predictions based on limi…
Uncertainty of a biological nitrogen and phosphorus removal model
2010
In the last few years, the use of mathematical models in wastewater treatment plant (WWTP) processes has become a common way to predict WWTP behaviour. However, mathematical models generally demand advanced input for their implementation that must be evaluated by an extensive data gathering campaign, which cannot always be carried out. This fact, together with the intrinsic complexity of the model structure, leads to model results that may be very uncertain. Quantification of the uncertainty is imperative. However, despite the importance of uncertainty quantification, only a few studies have been carried out in the wastewater treatment field, and those studies only included a few of the sou…
Nuclear quantum effects in liquid water from path-integral simulations using anab initioforce-matching approach
2014
We have applied path integral simulations, in combination with new ab initio based water potentials, to investigate nuclear quantum effects in liquid water. Because direct ab initio path integral simulations are computationally expensive, a flexible water model is parameterized by force-matching to density functional theory-based molecular dynamics simulations. The resulting effective potentials provide an inexpensive replacement for direct ab inito molecular dynamics simulations and allow efficient simulation of nuclear quantum effects. Static and dynamic properties of liquid water at ambient conditions are presented and the role of nuclear quantum effects, exchange-correlation functionals…
Global sensitivity analysis in wastewater treatment modelling
2019
Global sensitivity analysis (GSA) is a valuable tool to support the use of mathematical models. GSA allows the identifcation of the effect of model and input factor uncertainty on the model response, also considering the effect due to the interactions among factors. During recent years, the wastewater modelling feld has embraced the use of GSA. Wastewater modellers have tried to transfer the knowledge and experience from other disciplines and other water modelling felds.
Second inflection point of water surface tension in the deeply supercooled regime revealed by entropy anomaly and surface structure using molecular d…
2019
The surface tension of supercooled water is of fundamental importance in physical chemistry and materials and atmospheric sciences. Controversy, however, exists over its temperature dependence in the supercooled regime, especially on the existence of the second inflection point (SIP). Here, we use molecular dynamics simulations of the SPC/E water model to study the surface tension of water (sigma(w)) as a function of temperature down to 198.15 K, and find a minimum point of surface excess entropy per unit area around approximate to 240-250 K. Additional simulations with the TIP4P/2005 water model also show consistent results. Hence, we predict an SIP of sigma(w) roughly in this region, at t…
Structure and Dynamics of the Quasi-Liquid Layer at the Surface of Ice from Molecular Simulations
2018
We characterized the structural and dynamical properties of the quasi-liquid layer (QLL) at the surface of ice by molecular dynamics simulations with a thermodynamically consistent water model. Our simulations show that for three low-index ice surfaces only the outermost molecular layer presents short-range and mid-range disorder and is diffusive. The onset temperature for normal diffusion is much higher than the glass temperature of supercooled water, although the diffusivity of the QLL is higher than that of bulk water at the corresponding temperature. The underlying subsurface layers impose an ordered template, which produces a regular patterning of the ice/water interface at any tempera…
Anomalies in the temperature dependence of the 1.2-? absorption of liquid water
1975
The weakly absorbed 1.2-μ combination band of water was accurately studied as a function of temperature, in both its profile and first derivative, to obtain information on the bulk properties of liquid water. Arrhenius plots of integrated component intensity ratios showed well aligned experimental points, except for a neatly defined break occurring in the 30 to 40°C temperature interval for pure water A similar break, shifted by some 18°C towards lower temperature, was found in the case of 1M NaClO4 aqueous solutions. The breaks are tentatively assumed to result from abrupt though subtle changes involving low-frequency modes. This tentative, assumption appears independent of specific models…
Sensitivity and uncertainty analysis of an integrated membrane bioreactor model
2015
Sensitivity and uncertainty analysis, although can be of primarily importance in mathematical modelling approaches, are scarcely applied in the field of membrane bioreactor (MBR). An integrated mathematical model for MBR is applied with the final aim to pin down sources of uncertainty in MBR modelling. The uncertainty analysis has been performed combining global sensitivity analysis (GSA) with the generalized likelihood uncertainty estimation (GLUE). The model and methodology were applied to a University Cape Town pilot plant. Results show that the complexity of the modelled processes and the propagation effect from the influent to the effluent increase the uncertainty of the model predicti…