This file was generated on 2025-05-14 by Merve Gözdenur DEMİRBEK


GENERAL INFORMATION

1. Title of Dataset: Mesoscale Modelling: Simulating Pluronic L64 with Dissipative Particle Dynamics


2. Author Information
	A. Principal Investigator Contact Information
		Name: Mackie, Allan D. - ORCID: 0000-0002-1819-7820
		Institution: Universitat Rovira i Virgili
		Address: Departament d'Enginyeria Química, ETSEQ, Universitat Rovira i Virgili, Av. Països Catalans 26, 43007, Tarragona, Catalunya, Spain.
		Email: allan.mackie@urv.cat

	B. Associate or Co-investigator Contact Information
		Name: Salueña, Clara  - ORCID: 0000-0001-7595-8588
		Institution: Universitat Rovira i Virgili
		Address: Departament d'Enginyeria Mecànica, ETSEQ, Universitat Rovira i Virgili, Av. Països Catalans, 26, 43007, Tarragona, Catalunya, Spain.
		Email: clara.saluena@urv.cat

	C. Investigator Contact Information
		Name: Demirbek, Merve Gözdenur - ORCID: 0000-0001-6500-4465
		Institution: Universitat Rovira i Virgili
		Address: Departament d'Enginyeria Química, ETSEQ, Universitat Rovira i Virgili, Av. Països Catalans 26, 43007, Tarragona, Catalunya, Spain.
		Email: mervegozdenur.demirbek@urv.cat


3. Date of data collection (single date, range, approximate date) : 
   approximate dates, Start: 2022-05-02 ; End: 2024-09-04

4. Geographic location of data collection : 
Tarragona, Catalonia, Spain.

5. Information about funding sources that supported the collection of the data:
This project has received funding from Martí i Franquès research grants program under the Universitat Rovira i Virgili grant agreement No. 2021PMF-PIPF-23.

SHARING/ACCESS INFORMATION

1. Licenses/restrictions placed on the data: 
CC BY-NC 4.0 (Attribution-NonCommercial 4.0 International)

2. Links to publications that cite or use the data: 
Manuscript in preparation. 

3. Links to other publicly accessible locations of the data: 
No other location.

4. Links/relationships to ancillary data sets: 

5. Was data derived from another source? yes/no
	A. If yes, list source(s): No

6. Recommended citation for this dataset: 
Manuscript in preparation.



DATA & FILE OVERVIEW


1. File List: 

Demirbek_MG_Poster_Thermodynamics2024.pdf
Demirbek_MG_Thermodynamics2024_Abstract.pdf

2. Relationship between files, if important: 

"Demirbek_MG_Poster_Thermodynamics2024.pdf" is the presented poster, "Demirbek_MG_Thermodynamics2024_Abstract.pdf" is the corresponding abstract file. 

3. Additional related data collected that was not included in the current data package: 

4. Are there multiple versions of the dataset? yes/no
No
	A. If yes, name of file(s) that was updated: 
		i. Why was the file updated? 
		ii. When was the file updated? 

METHODOLOGICAL INFORMATION

1. Description of methods used for collection/generation of data:
Ongoing study for publication. Please see the research paper. 

2. Methods for processing the data: 
Ongoing study for publication. Please see the research paper.

3. Instrument- or software-specific information needed to interpret the data: 

Code scripts run on LAMMPS, MATLAB, Python, and OVITO programs. Installation information can be found via the links below;

LAMMPS, https://www.lammps.org/#gsc.tab=0
OVITO Pro, https://www.ovito.org
MATLAB, 2023b, https://www.mathworks.com 
Python, 3.11, https://www.python.org/downloads/

4. Standards and calibration information, if appropriate: 

5. Environmental/experimental conditions:

6. Describe any quality-assurance procedures performed on the data: 

7. People involved with sample collection, processing, analysis and/or submission: 

	A. Principal Investigator Contact Information
		Name: Mackie, Allan D. - ORCID: 0000-0002-1819-7820
		Institution: Universitat Rovira i Virgili
		Address: Departament d'Enginyeria Química, ETSEQ, Universitat Rovira i Virgili, Av. Països Catalans 26, 43007, Tarragona, Catalunya, Spain.
		Email: allan.mackie@urv.cat

	B. Associate or Co-investigator Contact Information
		Name: Salueña, Clara  - ORCID: 0000-0001-7595-8588
		Institution: Universitat Rovira i Virgili
		Address: Departament d'Enginyeria Mecànica, ETSEQ, Universitat Rovira i Virgili, Av. Països Catalans, 26, 43007, Tarragona, Catalunya, Spain.
		Email: clara.saluena@urv.cat

	C. Investigator Contact Information
		Name: Demirbek, Merve Gözdenur - ORCID: 0000-0001-6500-4465
		Institution: Universitat Rovira i Virgili
		Address: Departament d'Enginyeria Química, ETSEQ, Universitat Rovira i Virgili, Av. Països Catalans 26, 43007, Tarragona, Catalunya, Spain.
		Email: mervegozdenur.demirbek@urv.cat