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- #Thermodynamics calculator as a function of time software#
- #Thermodynamics calculator as a function of time license#
#Thermodynamics calculator as a function of time software#
The NAPLator software calculates the distribution of pollutants in the soil phases based on the assumption that the total mass composition of pollutants is equivalent to the composition of the organic phase. Indeed, the transfer of organic pollutants between the different soil phases (aqueous phase, gas phase, NAPL phase and adsorbed phase) is generally described by the thermodynamic equilibrium laws at the soil pore scale. These numerical tools allow to calculate and describe the distribution of organic pollutants in the different phases of the soil from their total quantities in the soil sample. The numerical tools identified are NAPLANAL (Mariner et al, 1997), NAPLator (Rucker, 2003) and OREOS (Chastanet et al, 2012). There are several existing numerical tools for studying the distribution of pollutants in the different phases of the soil. By knowing which pollutants will end up in the aqueous or gaseous phases, namely the mobile phases, one can identify which pollutant is more likely to move from the original hydrocarbons pollution location and, for instance, contaminate the groundwater or be inhaled as vapor. In fact, this numerical tool computes thermodynamic flashes to determine the long-term distribution of pollutants in the different phases of the soil. This paper presents a numerical tool that aims at investigating the evolution of hydrocarbons pollutants in the soil. There are several types of pollution in soils including metal pollution (copper, lead, nickel, etc.), metalloid pollution (boron, arsenic, etc.) and Volatile Organic Components (VOCs: hydrocarbons). Unrestricted use, distribution, and reproduction in any medium are permitted, provided the original work is properly cited.Īccording to the mid-2018 census, there were nearly 6800 contaminated sites and soils in France (see BASOL database).
#Thermodynamics calculator as a function of time license#
© Copyright 2022 Authors - This is an Open Access article published under the Creative Commons Attribution License terms. Keywords: Contaminated soil, Organic components, Transfer, Thermodynamic. A case study is then presented to assess the results from Transfero-Pol by comparing them to the outputs of a commercial software. In this paper, the theory behind the numerical tool Transfero-Pol is derived. These results make it possible to understand the long-term distribution of pollutants within the different phases of the soil as a function of temperature. The results of this tool, which is called Transfero-Pol, therefore depend on the input data obtained from the analysis of the contaminated soil.
![thermodynamics calculator as a function of time thermodynamics calculator as a function of time](https://image2.slideserve.com/4206149/calculation-of-the-equilibrium-constant-l.jpg)
These mole fractions are thus the input data for the numerical tool to perform the components or pollutants distribution calculation. This information is used to calculate the overall mole fractions (zi) of each pollutant in the contaminated soil. The soil must therefore be analysed to determine its characteristics and the total concentrations of pollutants.
![thermodynamics calculator as a function of time thermodynamics calculator as a function of time](https://image1.slideserve.com/2952536/calculation-of-a-rotational-partition-function-l.jpg)
This tool requires chemical information from the contaminated soil sample as input data.
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It has been specifically adapted for the study of organic pollutants in contaminated soils. Indeed, this numerical tool based on equations of state has been developed to compute vapor-liquid or vapour-liquid-liquid thermodynamic equilibrium as a function of temperature and pressure. This paper proposes to investigate the transfer of pollutants by means of a quick running numerical tool. At the same time the amount of money available to investigate the risks associated with soil pollutions remains limited. Ayache 1, Pauline Michel 1, Pascal Mougin 1ġ-4 avenue de Bois-Préau, 92852 Rueil-Malmaison, - Regulations are becoming stricter and stricter regarding soil pollutions. Linked References Prediction of Organic Pollutants Transfers in Contaminated Soils Using an In-House Thermodynamic Calculator