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Maximizing the EU shale gas potential by minimizing its environmental footprint

Deliverables

New models for clay and kerogen pores in shales
Reservoir conditions for European samples
Report on PTx properties of shale rock samples
Full experimental materials characterisation and fluid transport data within the engineered materials with dual porosity
Full traditional characterisation on shale core samples representative of EU formations
Policy recommendations for the effective governance of shale gas operations in Europe
Multi-period and logistic optimization-based approaches for wastewater management in shale gas operations
Experimental characterization regarding fracture permeability and healing properties, elastic mechanical data and creep behaviour under high pressure
Application of well blowout model to an existing well to generate fire and explosion risk contours
Relations between tomographic and geomechanical observations, implications for reservoir conditions and sweet spot identification
Experimental tomographic imaging of pore size, structure, networks and potential flow paths within selected shale core samples
Characterization of fluid properties in zeolites
Potential of migration of NORM and compounds used in hydraulic fracturing fluids through a shale formation
Fluid behaviour for water, methane, other hydrocarbons, fracturing fluids and their chemicals confined in the narrow pores found in shale rocks
Progress report 2

Progress reports

Sensitivity analysis of the LCA of the environmental footprint of shale gas in Europe
Project management manual
Preferential distribution of water, methane, simple salts, hydrocarbons within clay and kerogen pores of various sizes typically found in shale rocks
Analytical models and software for describing convective and forced fluid transport within fractured shale formations
Final report
Regulatory framework on environmental impacts and community acceptance of shale gas
Diffusion coefficients of various fluid mixtures and their individual components in heterogeneous narrow pores typical of shale rocks
Likelihood of induced seismic / micro seismic activity in shale formations throughout Europe, including a risk assessment
Equation of states of fluids needed for process design and risk assessment
Comparative environmental footprint of shale gas vs. traditional energy sources and alternative low-carbon renewables
Analytical model and software to describe the transport of hydrocarbons/water/contaminants through shale rock formations, including convective and forced transport and diffusive behaviour
Reservoir conditions for rock library samples
Progress report 1

Progress report

Publications

Process optimization for zero-liquid discharge desalination of shale gas flowback water under uncertainty

Author(s): Viviani C. Onishi, Rubén Ruiz-Femenia, Raquel Salcedo-Díaz, Alba Carrero-Parreño, Juan A. Reyes-Labarta, Eric S. Fraga, José A. Caballero
Published in: Journal of Cleaner Production, Issue 164, 2017, Page(s) 1219-1238, ISSN 0959-6526
Publisher: Elsevier BV
DOI: 10.1016/j.jclepro.2017.06.243

Modelling aqueous solubility of sodium chloride in clays at thermodynamic conditions of hydraulic fracturing by molecular simulations

Author(s): Filip Moučka, Martin Svoboda, Martin Lísal
Published in: Physical Chemistry Chemical Physics, Issue 19/25, 2017, Page(s) 16586-16599, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/c7cp02121f

Propane–Water Mixtures Confined within Cylindrical Silica Nanopores: Structural and Dynamical Properties Probed by Molecular Dynamics

Author(s): Tran Thi Bao Le, Alberto Striolo, Siddharth S. Gautam, David R. Cole
Published in: Langmuir, Issue 33/42, 2017, Page(s) 11310-11320, ISSN 0743-7463
Publisher: American Chemical Society
DOI: 10.1021/acs.langmuir.7b03093

Quantifying the anisotropy and tortuosity of permeable pathways in clay-rich mudstones using models based on X-ray tomography

Author(s): Nils R. Backeberg, Francesco Iacoviello, Martin Rittner, Thomas M. Mitchell, Adrian P. Jones, Richard Day, John Wheeler, Paul R. Shearing, Pieter Vermeesch, Alberto Striolo
Published in: Scientific Reports, Issue 7/1, 2017, Page(s) 14838, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.1038/s41598-017-14810-1

Modeling of Bulk Kerogen Porosity: Methods for Control and Characterization

Author(s): Manolis Vasileiadis, Loukas D. Peristeras, Konstantinos D. Papavasileiou, Ioannis G. Economou
Published in: Energy & Fuels, Issue 31/6, 2017, Page(s) 6004-6018, ISSN 0887-0624
Publisher: American Chemical Society
DOI: 10.1021/acs.energyfuels.7b00626

Transport Mechanism of Guest Methane in Water-Filled Nanopores

Author(s): Tai Bui, Anh Phan, David R. Cole, Alberto Striolo
Published in: The Journal of Physical Chemistry C, Issue 121/29, 2017, Page(s) 15675-15686, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.7b02713

Understanding Shale Gas: Recent Progress and Remaining Challenges

Author(s): Alberto Striolo, David R. Cole
Published in: Energy & Fuels, Issue 31/10, 2017, Page(s) 10300-10310, ISSN 0887-0624
Publisher: American Chemical Society
DOI: 10.1021/acs.energyfuels.7b01023

A kinetic Monte Carlo approach to study fluid transport in pore networks

Author(s): M. Apostolopoulou, R. Day, R. Hull, M. Stamatakis, A. Striolo
Published in: The Journal of Chemical Physics, Issue 147/13, 2017, Page(s) 134703, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.4985885

Creep of Posidonia Shale at Elevated Pressure and Temperature

Author(s): E. Rybacki, J. Herrmann, R. Wirth, G. Dresen
Published in: Rock Mechanics and Rock Engineering, Issue 50/12, 2017, Page(s) 3121-3140, ISSN 0723-2632
Publisher: Springer Verlag
DOI: 10.1007/s00603-017-1295-y

The Carbon-Water Interface: Modeling Challenges and Opportunities for the Water-Energy Nexus

Author(s): Alberto Striolo, Angelos Michaelides, Laurent Joly
Published in: Annual Review of Chemical and Biomolecular Engineering, Issue 7/1, 2016, Page(s) 533-556, ISSN 1947-5438
Publisher: Annual Reviews Inc.
DOI: 10.1146/annurev-chembioeng-080615-034455

Addressing the risks of induced seismicity in subsurface energy operations

Author(s): Richard T.J. Porter, Alberto Striolo, Haroun Mahgerefteh, Joanna Faure Walker
Published in: Wiley Interdisciplinary Reviews: Energy and Environment, Issue 2018, 2018, Page(s) e324, ISSN 2041-8396
Publisher: John Wiley and Sons Ltd
DOI: 10.1002/wene.324

Specific ion effects in polysaccharide dispersions

Author(s): Duccio Tatini, Filippo Sarri, Piefrancesco Maltoni, Moira Ambrosi, Emiliano Carretti, Barry W. Ninham, Pierandrea Lo Nostro
Published in: Carbohydrate Polymers, Issue 173, 2017, Page(s) 344-352, ISSN 0144-8617
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.carbpol.2017.05.078

Clay Swelling in Dry Supercritical Carbon Dioxide: Effects of Interlayer Cations on the Structure, Dynamics, and Energetics of CO 2 Intercalation Probed by XRD, NMR, and GCMD Simulations

Author(s): Narasimhan Loganathan, Geoffrey M. Bowers, A. Ozgur Yazaydin, H. Todd Schaef, John S. Loring, Andrey G. Kalinichev, R. James Kirkpatrick
Published in: The Journal of Physical Chemistry C, Issue 122/8, 2018, Page(s) 4391-4402, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.7b12270

An enhanced understanding of the Basinal Bowland shale in Lancashire (UK), through microtextural and mineralogical observations

Author(s): A.L. Fauchille, L. Ma, E. Rutter, M. Chandler, P.D. Lee, K.G. Taylor
Published in: Marine and Petroleum Geology, Issue 86, 2017, Page(s) 1374-1390, ISSN 0264-8172
Publisher: Elsevier BV
DOI: 10.1016/j.marpetgeo.2017.07.030

Multi-scale 3D characterisation of porosity and organic matter in shales with variable TOC content and thermal maturity: Examples from the Lublin and Baltic Basins, Poland and Lithuania

Author(s): Lin Ma, Kevin G. Taylor, Patrick J. Dowey, Loic Courtois, Ali Gholinia, Peter D. Lee
Published in: International Journal of Coal Geology, Issue 180, 2017, Page(s) 100-112, ISSN 0166-5162
Publisher: Elsevier BV
DOI: 10.1016/j.coal.2017.08.002

Variability in spatial distribution of mineral phases in the Lower Bowland Shale, UK, from the mm- to μm-scale: Quantitative characterization and modelling

Author(s): A.L. Fauchille, A.P. van den Eijnden, L. Ma, M. Chandler, K.G. Taylor, K. Madi, P.D. Lee, E. Rutter
Published in: Marine and Petroleum Geology, Issue 92, 2018, Page(s) 109-127, ISSN 0264-8172
Publisher: Elsevier BV
DOI: 10.1016/j.marpetgeo.2018.02.029

Hierarchical integration of porosity in shales

Author(s): Lin Ma, Thomas Slater, Patrick J. Dowey, Sheng Yue, Ernest H. Rutter, Kevin G. Taylor, Peter D. Lee
Published in: Scientific Reports, Issue 8/1, 2018, Page(s) 1-14, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.1038/s41598-018-30153-x

Transport Properties of Shale Gas in Relation to Kerogen Porosity

Author(s): Manolis Vasileiadis, Loukas D. Peristeras, Konstantinos D. Papavasileiou, Ioannis G. Economou
Published in: The Journal of Physical Chemistry C, Issue 122/11, 2018, Page(s) 6166-6177, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.8b00162

Molecular Dynamics Simulation of Water-Based Fracturing Fluids in Kaolinite Slit Pores

Author(s): Konstantinos D. Papavasileiou, Vasileios K. Michalis, Loukas D. Peristeras, Manolis Vasileiadis, Alberto Striolo, Ioannis G. Economou
Published in: The Journal of Physical Chemistry C, Issue 122/30, 2018, Page(s) 17170-17183, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.8b03552

Holistic Planning Model for Sustainable Water Management in the Shale Gas Industry

Author(s): Alba Carrero-Parreño, Juan A. Reyes-Labarta, Raquel Salcedo-Díaz, Rubén Ruiz-Femenia, Viviani C. Onishi, José A. Caballero, Ignacio E. Grossmann
Published in: Industrial & Engineering Chemistry Research, Issue 57/39, 2018, Page(s) 13131-13143, ISSN 0888-5885
Publisher: American Chemical Society
DOI: 10.1021/acs.iecr.8b02055

Expansion of the ADOR Strategy for the Synthesis of Zeolites: The Synthesis of IPC-12 from Zeolite UOV

Author(s): Valeryia Kasneryk, Mariya Shamzhy, Maksym Opanasenko, Paul S. Wheatley, Samuel A. Morris, Samantha E. Russell, Alvaro Mayoral, Michal Trachta, Jiří Čejka, Russell E. Morris
Published in: Angewandte Chemie, Issue 129/15, 2017, Page(s) 4388-4391, ISSN 0044-8249
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/ange.201700590

The effect of pore size dimensions in isoreticular zeolites on carbon dioxide adsorption heats

Author(s): Arnošt Zukal, Mariya Shamzhy, Martin Kubů, Jiří Čejka
Published in: Journal of CO2 Utilization, Issue 24, 2018, Page(s) 157-163, ISSN 2212-9820
Publisher: Elsevier BV
DOI: 10.1016/j.jcou.2017.12.016

Adsorption and Diffusion of C 1 to C 4 Alkanes in Dual-Porosity Zeolites by Molecular Simulations

Author(s): Eliška Rezlerová, Arnošt Zukal, Jiří Čejka, Flor R. Siperstein, John K. Brennan, Martin Lísal
Published in: Langmuir, Issue 33/42, 2017, Page(s) 11126-11137, ISSN 0743-7463
Publisher: American Chemical Society
DOI: 10.1021/acs.langmuir.7b01772

Concentrated aqueous sodium chloride solution in clays at thermodynamic conditions of hydraulic fracturing: Insight from molecular dynamics simulations

Author(s): Martin Svoboda, Martin Lísal
Published in: The Journal of Chemical Physics, Issue 148/22, 2018, Page(s) 222806, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5017166

Chemical potentials of alkaline earth metal halide aqueous electrolytes and solubility of their hydrates by molecular simulation: Application to CaCl 2 , antarcticite, and sinjarite

Author(s): Filip Moučka, Jiří Kolafa, Martin Lísal, William R. Smith
Published in: The Journal of Chemical Physics, Issue 148/22, 2018, Page(s) 222832, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5024212

Deformation Experiments on Bowland and Posidonia Shale—Part I: Strength and Young’s Modulus at Ambient and In Situ pc–T Conditions

Author(s): J. Herrmann, E. Rybacki, H. Sone, G. Dresen
Published in: Rock Mechanics and Rock Engineering, 2018, ISSN 0723-2632
Publisher: Springer Verlag
DOI: 10.1007/s00603-018-1572-4

Saturated aqueous NaCl solution and pure water in Na-montmorillonite clay at thermodynamic conditions of hydraulic fracturing: Thermodynamics, structure and diffusion from molecular simulations

Author(s): Martin Svoboda, Filip Moučka, Martin Lísal
Published in: Journal of Molecular Liquids, Issue 271, 2018, Page(s) 490-500, ISSN 0167-7322
Publisher: Elsevier BV
DOI: 10.1016/j.molliq.2018.08.144

Competitive Adsorption of H 2 O and CO 2 in 2-Dimensional Nanoconfinement: GCMD Simulations of Cs- and Ca-Hectorites

Author(s): Narasimhan Loganathan, Geoffrey M. Bowers, A. Ozgur Yazaydin, Andrey G. Kalinichev, R. James Kirkpatrick
Published in: The Journal of Physical Chemistry C, Issue 122/41, 2018, Page(s) 23460-23469, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.8b06602

Confined Water Determines Transport Properties of Guest Molecules in Narrow Pores

Author(s): Anh Phan, David R. Cole, R. Gregor Weiß, Joachim Dzubiella, Alberto Striolo
Published in: ACS Nano, Issue 10/8, 2016, Page(s) 7646-7656, ISSN 1936-0851
Publisher: American Chemical Society
DOI: 10.1021/acsnano.6b02942

Optimal Pretreatment System of Flowback Water from Shale Gas Production

Author(s): Alba Carrero-Parreño, Viviani C. Onishi, Raquel Salcedo-Díaz, Rubén Ruiz-Femenia, Eric S. Fraga, José A. Caballero, Juan A. Reyes-Labarta
Published in: Industrial & Engineering Chemistry Research, Issue 56/15, 2017, Page(s) 4386-4398, ISSN 0888-5885
Publisher: American Chemical Society
DOI: 10.1021/acs.iecr.6b04016

Shale gas flowback water desalination: Single vs multiple-effect evaporation with vapor recompression cycle and thermal integration

Author(s): Viviani C. Onishi, Alba Carrero-Parreño, Juan A. Reyes-Labarta, Rubén Ruiz-Femenia, Raquel Salcedo-Díaz, Eric S. Fraga, José A. Caballero
Published in: Desalination, Issue 404, 2017, Page(s) 230-248, ISSN 0011-9164
Publisher: Elsevier BV
DOI: 10.1016/j.desal.2016.11.003

Molecular simulation of shale gas adsorption onto overmature type II model kerogen with control microporosity

Author(s): Lukáš Michalec, Martin Lísal
Published in: Molecular Physics, 2016, Page(s) 1-18, ISSN 0026-8976
Publisher: Taylor & Francis
DOI: 10.1080/00268976.2016.1243739

Desalination of shale gas produced water: A rigorous design approach for zero-liquid discharge evaporation systems

Author(s): Viviani C. Onishi, Alba Carrero-Parreño, Juan A. Reyes-Labarta, Eric S. Fraga, José A. Caballero
Published in: Journal of Cleaner Production, Issue 140, 2017, Page(s) 1399-1414, ISSN 0959-6526
Publisher: Elsevier BV
DOI: 10.1016/j.jclepro.2016.10.012

Shale gas: a life-cycle perspective for UK production

Author(s): Carla Tagliaferri, Roland Clift, Paola Lettieri, Chris Chapman
Published in: The International Journal of Life Cycle Assessment, 2016, Page(s) 1-19, ISSN 0948-3349
Publisher: Springer Verlag
DOI: 10.1007/s11367-016-1207-5

Interfacial water studies and their relevance for the energy sector

Author(s): Alberto Striolo
Published in: Molecular Physics, Issue 114/18, 2016, Page(s) 2615-2626, ISSN 0026-8976
Publisher: Taylor & Francis
DOI: 10.1080/00268976.2016.1237685

Synchrotron tomographic quantification of strain and fracture during simulated thermal maturation of an organic-rich shale, UK Kimmeridge Clay

Author(s): Fernando Figueroa Pilz, Patrick J. Dowey, Anne-Laure Fauchille, Loic Courtois, Brian Bay, Lin Ma, Kevin G. Taylor, Julian Mecklenburgh, Peter D. Lee
Published in: Journal of Geophysical Research: Solid Earth, Issue 122/4, 2017, Page(s) 2553-2564, ISSN 2169-9313
Publisher: AGU
DOI: 10.1002/2016JB013874

Zero-Liquid Discharge Desalination of Hypersaline Shale Gas Wastewater: Challenges and Future Directions

Author(s): Viviani C. Onishi, Juan A. Reyes-Labarta, José A. Caballero
Published in: Euro-Mediterranean Conference for Environmental Integration, 2017, Page(s) 65-67, ISBN 978-3-319-70548-4
Publisher: Springer International Publishing
DOI: 10.1007/978-3-319-70548-4_24

Workflow For Homogenising Permeability Of A Low Permeable Rock Containing A High Permeable Discrete Fracture Network

Author(s): T. Meier, C. Grühser, T. Backers
Published in: 80th EAGE Conference and Exhibition 2018, 2018, ISBN 978-94-6282-254-2
Publisher: EAGE Publications BV
DOI: 10.3997/2214-4609.201801635

Reactivation of Fault Zones due to Thermo-Poroelastic Stress Changes

Author(s): T. Meier, T. Backers
Published in: 80th EAGE Conference and Exhibition 2018, 2018, ISBN 978-94-6282-254-2
Publisher: EAGE Publications BV
DOI: 10.3997/2214-4609.201800715

Wastewater Management in Shale Gas Industry: Alternatives for Water Reuse and Recycling, Challenges and Perspectives

Author(s): Viviani C. Onishi, Juan A. Reyes-Labarta, José A. Caballero, Carlos H. Antunes
Published in: Book of Abstracts of the18th European Meeting on Environmental Chemistry - EMEC18: Chemistry Towards an Infinite Environment, 2017, Page(s) 266, ISBN 978-972-752-228-6
Publisher: Springer

Robust Stochastic-Fuzzy Modelling Approach for Shale Gas Wastewater Management under Uncertainty

Author(s): Viviani C. Onishi, Rubén Ruiz-Femenia, Juan A. Reyes-Labarta, José A. Caballero, Carlos H. Antunes
Published in: Book of Abstracts of the 18th European Meeting on Environmental Chemistry (EMEC). Chemistry Towards an Infinite Environment, 2017, Page(s) 267, ISBN 978-972-752-228-6
Publisher: Springer

Water Management in Shale Gas: A Perspective from the Cooperative Games Theory

Author(s): Ruiz-Femenia, Rubén; Salcedo Díaz, Raquel; Caballero, José A.
Published in: Issue 1, 2018
Publisher: Universidad de Valladolid

Multi-Objective Optimization of Renewable Energy-Driven Desalination Systems

Author(s): Onishi, Viviani C.; Ruiz-Femenia, Rubén; Salcedo Díaz, Raquel; Carrero-Parreño, Alba; Reyes-Labarta, Juan A.; Caballero, José A.
Published in: Computer Aided Chemical Engineering, Issue 1, 2018, ISBN 978-0-444-64078-9
Publisher: Elsevier
DOI: 10.1016/B978-0-444-63965-3.50085-4

Shale Water Desalination: Multistage membrane distillation considering different configurations and heat integration

Author(s): Carrero-Parreño, Alba; Onishi, Viviani C.; Ruiz-Femenia, Rubén; Salcedo Díaz, Raquel; Caballero, José A.; Reyes-Labarta, Juan A.
Published in: 3rd International Conference on Desalination using Membrane Technology, Issue 2, 2017, Page(s) Paper-MDES2017_0196 (OB27)
Publisher: Elsevier

Combining Forward and Reverse Osmosis for Shale Gas Wastewater Treatment to Minimize Cost and Freshwater Consumption

Author(s): Raquel Salcedo-Díaz, Rubén Ruiz-Femenia, Alba Carrero-Parreño, Viviani C. Onishi, Juan A. Reyes-Labarta, José A. Caballero
Published in: Issue 40, 2017, Page(s) 2725-2730
Publisher: Elsevier
DOI: 10.1016/B978-0-444-63965-3.50456-6

Optimal Shale Gas Flowback Water Desalination under Correlated Data Uncertainty

Author(s): Viviani C. Onishi, Rubén Ruiz-Femenia, Raquel Salcedo-Díaz, Alba Carrero-Parreño, Juan A. Reyes-Labarta, José A. Caballero
Published in: Computer Aided Chemical Engineering, Issue 40, 2018, Page(s) 943-948, ISBN 978-0-444-64078-9
Publisher: Elsevier
DOI: 10.1016/B978-0-444-63965-3.50159-8

Multistage Membrane Distillation for the Treatment of Shale Gas Flowback Water: Multi-Objective Optimization under Uncertainty

Author(s): Alba Carrero-Parreño, Viviani C. Onishi, Rubén Ruiz-Femenia, Raquel Salcedo-Díaz, José A. Caballero, Juan A. Reyes-Labarta
Published in: Computer-Aided Chemical Engineering, Issue 40, 2017, Page(s) 571-576, ISBN 978-0-444-64078-9
Publisher: Elsevier
DOI: 10.1016/B978-0-444-63965-3.50097-0

Desalination of Shale Gas Wastewater: Thermal and Membrane Applications for Zero-Liquid Discharge

Author(s): Viviani C. Onishi, Eric S. Fraga, Juan A. Reyes-Labarta, José A. Caballero
Published in: Emerging Technologies for Sustainable Desalination, 2018, Page(s) 399-431, ISBN 978-0-12-815818-0
Publisher: Elsevier
DOI: 10.1016/B978-0-12-815818-0.00012-6

Sustainable Optimal Strategic Planning for Shale Water Management

Author(s): Alba Carrero-Parreño, Rubén Ruiz-Femenia, José A. Caballero, Juan A. Reyes-Labarta, Ignacio E. Grossmann
Published in: Computer Aided Chemical Engineering, Issue 43, 2018, Page(s) 657-662, ISBN 978-0-444-64078-9
Publisher: Elsevier
DOI: 10.1016/B978-0-444-64235-6.50117-0

Membrane Desalination in Shale Gas Industry. Applications and Perspectives.

Author(s): Onishi, V.C.; Reyes-Labarta, J.A.; Caballero, J.A.
Published in: Current Trends and Future Developments on (Bio-) Membranes - Membrane Desalination Systems: The Next Generation - Part 2 Towards Zero Liquid Discharge in Desalination., 2019, ISBN 978-0-12-813551-8
Publisher: Elsevier
DOI: 10.1016/B978-0-12-813551-8.00010-3

Multi-scale models for the prediction of structure and physical properties of chemical systems related to natural gas technology

Author(s): K.D. Papavasileiou, M. Vasileiadis, V.K. Michalis, L.D. Peristeras, and I. G. Economou
Published in: 2019, Page(s) Chapter 18, ISBN 978-1-119-27025-6
Publisher: Wiley

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