This numerical_data_publication_Physics_of_Fluids_Eckel_Pini_2021_readme.txt file was generated on 04.06.2021 by Anna-Maria Eckel

GENERAL INFORMATION

1. Title of Dataset: numerical_data_publication_Physics_of_Fluids_Eckel_Pini_2021

2. Author Information
	A. Principal Investigator Contact Information
		Name: Anna-Maria Eckel
		Institution: Imperial College London, Department of Chemcial Engineering
		Address: London SW7 2AZ
		Email: a.eckel18@imperial.ac.uk

	B. Associate or Co-investigator Contact Information
		Name: Ronny Pini
		Institution: Imperial College London, Department of Chemcial Engineering
		Address: London SW7 2AZ
		Email: r.pini@imperial.ac.uk

3. Date of data collection: approximately 2019.07.01 - 2020.03.01 

4. Geographic location of data collection: Department of Chemical Engineering, Imperial College London, London, UK

5. Information about funding sources that supported the collection of the data: AE is funded by a departmental scholarship from the Department of Chemical Engineering, Imperial College London.


SHARING/ACCESS INFORMATION

1. Licenses/restrictions placed on the data: Creative Commons: Public Domain Dedication 1.0

2. Links to publications that cite or use the data: https://doi.org/10.1063/5.0049287

3. Was data derived from another source? no

4. Recommended citation for this dataset: Eckel, Anna-Maria; Pini, Ronny (2020), Imperial College London Data Repository, DOI: https://doi.org/10.14469/hpc/7351


DATA & FILE OVERVIEW

1. File List: 
diffusion (data of the one-dimensional diffusive model)
Ra_100 (data of the two-dimensional convective model computed with Rayleigh number Ra=100)
Ra_250 (data of the two-dimensional convective model computed with Rayleigh number Ra=250)
Ra_1000 (data of the two-dimensional convective model computed with Rayleigh number Ra=1000)
Ra_2500 (data of the two-dimensional convective model computed with Rayleigh number Ra=2500)
Ra_5500 (data of the two-dimensional convective model computed with Rayleigh number Ra=5500)
Ra_10000 (data of the two-dimensional convective model computed with Rayleigh number Ra=10000)

2. Are there multiple versions of the dataset? no

METHODOLOGICAL INFORMATION

1. Description of methods used for collection/generation of data: 
Numerical simulations were performed in COMSOL Multiphysics® to quantify systematically the mixing dynamics during density-driven solutal convection in homogeneous porous media with application to CO2 storage. A two-dimensional formulation is applied, and the Rayleigh number is varied between Ra = 100 and Ra = 10000. Two physics interfaces have been used concomitantly, namely “Porous Media and Subsurface Flow” (from “Fluid Flow” interface) and “Transport of Diluted Species in Porous Media” (from “Chemical Species Transport” interface). The numerical method of the time-dependent solver is the implicit BDF solver that uses backward differentiation formulas with a variable order of accuracy between 2 and 1. For comparison, the data of the purely diffusive transport (calculated with MATLAB®) is included. For further information see corresponding publication.

2. Methods for processing the data: 
All metrics were calculated numerically in the post-processing tool of COMSOL Multiphysics® and in MATLAB®.

3. Describe any quality-assurance procedures performed on the data: see validation in corresponding publication (https://doi.org/10.1063/5.0049287)

4. People involved with sample collection, processing, analysis and/or submission: Anna-Maria Eckel, Ronny Pini


DATA-SPECIFIC INFORMATION FOR: diffusion; Ra_100; Ra_250; Ra_1000; Ra_2500; Ra_10000

1. Number of variables: each txt-file contains the time-dependent values of one mixing measure, 5 txt-files overall

2. Number of cases/rows: 2 in each txt-file

3. Variable List (for further information please refer to the associated publication): 
tau, dimensionless time, unit: -
tau_hat, dimensionless time, unit: -
E/E_max, normalized dilution index, unit: -
J, dimensionless dissolution flux, unit: -
J_hat, dimensionless dissolution flux, unit: -
I, intensity of segregation, unit: -
L/L_diff, normalized iso-contour line, unit: -
sigma/H, normalized spreading length, unit: -

DATA-SPECIFIC INFORMATION FOR: Ra_5500

1. Number of variables: txt-file contains the time-dependent values of the dissolution flux

2. Number of cases/rows: 2 in each txt-file

3. Variable List (for further information please refer to the associated publication): 
tau, dimensionless time, unit: -
tau_hat, dimensionless time, unit: -
J, dimensionless dissolution flux, unit: -
J_hat, dimensionless dissolution flux, unit: -