Publications by Allan Leal

Found 20 itemsFilters: Smart Matching, Author: Leal

Refereed Publications in Journals

9 publications

2025 (2 publications)

2 Refereed Publications in Journals

Using Reaktoro for mineral and gas solubility calculations with the Extended UNIQUAC model

Leal, A. M. M., Tambach, T., Volpatto, D., Liang, X., Fosbøl, P. L., and Thomsen, K.

2025Refereed Publications in Journals Peer-ReviewedApplied Geochemistry, Art. 106274(Published: February 1, 2025)

DOIDOI: 10.1016/j.apgeochem.2024.106274

GeoProp: A thermophysical property modelling framework for single and two-phase geothermal geofluids

Merbecks, T., Leal, A. M. M., Bombarda, P., Silva, P., Alfani, D., and Saar, M. O.

2025Refereed Publications in Journals Peer-ReviewedGeothermics, Art. 103146(Published: January 1, 2025)

DOIDOI: 10.1016/j.geothermics.2024.103146

2024 (1 publication)

1 Refereed Publication in Journals

Stoichiometric and non-stoichiometric methods for modeling gasification and other reaction equilibria: A review of their foundations and their interconvertibility

Smith, W. R., Tahir, H., and Leal, A. M. M.

2024Refereed Publications in Journals Peer-ReviewedRenewable and Sustainable Energy Reviews 189, Art. 113935(Published: January 1, 2024)

DOIDOI: 10.1016/j.rser.2023.113935

2023 (1 publication)

1 Refereed Publication in Journals

ThermoFun: A C++/Python library for computing standard thermodynamic properties of substances and reactions across wide ranges of temperatures and pressures

Miron, G. D., Leal, A. M. M., Dmytrieva, S. V., and Kulik, D. A.

2023Refereed Publications in Journals Peer-ReviewedJournal of Open Source Software 8, Art. 4624(Published: March 1, 2023)

DOIDOI: 10.21105/joss.04624

2022 (4 publications)

4 Refereed Publications in Journals

Implementing an Equation of State without Derivatives: teqp

Bell, I. H., Deiters, U. K., and Leal, A. M. M.

2022Refereed Publications in Journals Peer-ReviewedIndustrial & Engineering Chemistry Research 61, pp. 6010–6027(Published: May 4, 2022)

DOIDOI: 10.1021/acs.iecr.2c00237

Possible False Positive: Marked as GEG Own ("yes"), but published on May 4, 2022 when no co-authors held active GEG appointments: Allan M. M. Leal [Visitors (2023-01-01–2025-03-31)] [Affiliation: Not specified in DOI metadata].

RecommendationIf this paper was published prior to joining GEG or under an external institution, please set GEG Own to "no" or document with an editorial comment in Intra.

Accelerated reactive transport simulations in heterogeneous porous media using Reaktoro and Firedrake

Kyas, S., Volpatto, D., Saar, M. O., and Leal, A. M. M.

2022Refereed Publications in Journals Peer-ReviewedComputational Geosciences 26, pp. 295–327(Published: April 1, 2022)

DOIDOI: 10.1007/s10596-021-10126-2

Inverse chemical equilibrium problems: General formulation and algorithm

Leal, A. M. M. and Smith, W. R.

2022Refereed Publications in Journals Peer-ReviewedChemical Engineering Science 252, pp. 1–20(Published: April 1, 2022)

DOIDOI: 10.1016/j.ces.2021.117162

Possible False Positive: Marked as GEG Own ("yes"), but published on April 1, 2022 when no co-authors held active GEG appointments: Allan M. M. Leal [Visitors (2023-01-01–2025-03-31)] [Affiliation: Not specified in DOI metadata].

RecommendationIf this paper was published prior to joining GEG or under an external institution, please set GEG Own to "no" or document with an editorial comment in Intra.

Towards a Model Based Interpretation of Measurements of Mineral and Chemical Compositions

Hauser, J., Dan Miron, G. D., Kyas, S., Leal, A. M. M., and Gunning, J.

2022Refereed Publications in Journals Peer-ReviewedMathematical Geosciences

2020 (1 publication)

1 Refereed Publication in Journals

Accelerating Reactive Transport Modeling: On-Demand Machine Learning Algorithm for Chemical Equilibrium Calculations

Leal, A. M. M., Kyas, S., Kulik, D. A., and Saar, M. O.

2020Refereed Publications in Journals Peer-ReviewedTransport in Porous Media 133, pp. 161–204(Published: June 1, 2020)

DOIDOI: 10.1007/s11242-020-01412-1

Presentations Talks Contributed

2 publications

2020 (2 publications)

2 Presentations Talks Contributed

Ultra-fast geochemical calculations in reactive transport modeling with on-demand learning algorithms

Leal, A. M. M., Kyas, S., Kulik, D. A., and Saar, M. O.

2020Presentations Talks ContributedTalk (Contributed) at CMWR2020 - Computational Methods in Water Resources XXIII - Stanford, USA(Published: December 16, 2020)

Accelerating reactive transport simulations with on-demand machine learning

Leal, A. M. M., Kyas, S., Kulik, D. A., and Saar, M. O.

2020Presentations Talks ContributedTalk (Contributed) at Swiss Geoscience Meeting 2020 - Zurich, Switzerland(Published: November 6, 2020)

Presentations Talks Invited

6 publications

2023 (3 publications)

3 Presentations Talks Invited

Reaktoro: a computational framework for modeling chemically reactive systems and CCS

Leal, A. M. M.

2023Presentations Talks InvitedTalk (Invited) at CO2GeoNet Seminar - ETH Zurich (Online)(Published: May 8, 2023)

Possible False Negative: Marked as Non-GEG ("no"), but published on May 8, 2023 while Allan M. M. Leal [Visitors (2023-01-01–2025-03-31)] [Affiliation: Not specified in DOI metadata] held an active GEG appointment.

RecommendationIf this was an official GEG publication, please set GEG Own to "yes". If conducted externally, please suppress this warning with an explanatory comment in Intra.

Developing Reaktoro to become the world leading geochemical simulator (Kick Off Meeting)

Leal, A. M. M.

2023Presentations Talks InvitedTalk (Invited) at Reaktoro Training @ Shell 2023 - Shell - Energy Transition Campus Amsterdam(Published: March 27, 2023)

Possible False Negative: Marked as Non-GEG ("no"), but published on March 27, 2023 while Allan M. M. Leal [Visitors (2023-01-01–2025-03-31)] [Affiliation: Not specified in DOI metadata] held an active GEG appointment.

RecommendationIf this was an official GEG publication, please set GEG Own to "yes". If conducted externally, please suppress this warning with an explanatory comment in Intra.

Reaktoro as the chemical reaction solver in Shell’s reservoir simulator (Close Out Meeting)

Leal, A. M. M.

2023Presentations Talks InvitedTalk (Invited) at Reaktoro Training @ Shell 2023 - Shell - Energy Transition Campus Amsterdam(Published: March 27, 2023)

RecommendationIf this was an official GEG publication, please set GEG Own to "yes". If conducted externally, please suppress this warning with an explanatory comment in Intra.

2022 (1 publication)

1 Presentation Talk Invited

An overview of Reaktoro and its capabilities for geochemical modeling and its use in reactive transport simulators

Leal, A. M. M.

2022Presentations Talks InvitedTalk (Invited) at INSPIRE Workshop 2022 (NORCE) - Geilo, Norway(Published: March 28, 2022)

2021 (1 publication)

1 Presentation Talk Invited

On-Demand Machine Learning for Faster Reactive Transport Simulations

Leal, A. M. M.

2021Presentations Talks InvitedTalk (Invited) at AI4ESP Workshop on Artificial Intelligence for Earth System Predictability - United States(Published: November 1, 2021)

2020 (1 publication)

1 Presentation Talk Invited

Reaktoro: a unified open-source framework for modeling chemically reactive systems

Leal, A. M. M.

2020Presentations Talks InvitedTalk (Invited) at GFD Seminar - ETHZ - Zurich, Switzerland(Published: November 17, 2020)

Possible False Positive: Marked as GEG Own ("yes"), but published on November 17, 2020 when no co-authors held active GEG appointments: Allan M. M. Leal [Visitors (2023-01-01–2025-03-31)] [Affiliation: Not specified in DOI metadata].

RecommendationIf this paper was published prior to joining GEG or under an external institution, please set GEG Own to "no" or document with an editorial comment in Intra.

Proceedings Non-refereed

2 publications

2025 (1 publication)

1 Proceeding Non-refereed

Post-Combustion CO2 Solvent Discovery by Artificial-Intelligence-Boosted Molecular-Based Theory and Thermodynamic Modelling

Smith, W. R., Kausar, T., Leal, A. M. M., Nica, M., Noroozi, J., Rutherford, W., Skvara, J., and Telles, V.

2025Proceedings Non-refereedIn 17th Greenhouse Gas Control Technologies Conference (GHGT-17)

URL

Possible False Negative: Marked as Non-GEG ("no"), but published on 2025 while Allan M. M. Leal [Visitors (2023-01-01–2025-03-31)] [Affiliation: Not specified in DOI metadata] held an active GEG appointment.

RecommendationIf this was an official GEG publication, please set GEG Own to "yes". If conducted externally, please suppress this warning with an explanatory comment in Intra.

2024 (1 publication)

1 Proceeding Non-refereed

Thermal Reactive-Transport Simulation of Subsurface Systems with Complex Geochemical Reactions

Sheth, S., Leal, A. M. M., and De Siqueira, F. D.

2024Proceedings Non-refereedIn ECMOR 2024, pp. 1–22(Published: January 1, 2024)

DOIDOI: 10.3997/2214-4609.202437022

Research Software

1 publication

2022 (1 publication)

1 Research Software

Reaktoro v2: an overview of its geochemical modeling capabilities and its use as a geochemical solver in reactive transport simulations

Leal, A. M. M., Kyas, S., and Saar, M. O.

2022Research SoftwareDataset: GitHub / Reaktoro (v2.0)(Published: January 1, 2022)

Possible False Negative: Marked as Non-GEG ("no"), but published on January 1, 2022 while Svetlana Kyas [Visitors (2018-12-01–2022-08-31)] [Affiliation: Not specified in DOI metadata]; Martin O. Saar [Chair (2015-01-01–present)] [Affiliation: Not specified in DOI metadata] held an active GEG appointment.

RecommendationIf this was an official GEG publication, please set GEG Own to "yes". If conducted externally, please suppress this warning with an explanatory comment in Intra.

Dr. Allan Leal

Scientific ID

Publications by Allan Leal

Refereed Publications in Journals

2025 (2 publications)

2024 (1 publication)

2023 (1 publication)

2022 (4 publications)

2020 (1 publication)

Presentations Talks Contributed

2020 (2 publications)

Presentations Talks Invited

2023 (3 publications)

2022 (1 publication)

2021 (1 publication)

2020 (1 publication)

Proceedings Non-refereed

2025 (1 publication)

2024 (1 publication)

Research Software

2022 (1 publication)

Refereed Publications in Journals

2025 (2 publications)

2024 (1 publication)

2023 (1 publication)

2022 (4 publications)

2020 (1 publication)

Presentations Talks Contributed

2020 (2 publications)

Presentations Talks Invited

2023 (3 publications)

2022 (1 publication)

2021 (1 publication)

2020 (1 publication)

Proceedings Non-refereed

2025 (1 publication)

2024 (1 publication)

Research Software

2022 (1 publication)