ABCIT internal progress reports template – Part A: Finances · 2.01.2017 · This Project has received funding from the European Union’s Horizon 2020 research and innovation

Grant agreement No. 640979

ShaleXenvironmenT

Maximizing the EU shale gas potential by minimizing its environmental footprint

H2020-LCE-2014-1

D1.2 Progress Report 1

1st Sep. 2015 – 31st Aug. 2016

WP 1 – Management Due date of deliverable Month 12 – 31st August 2016 Actual submission date 10/01/2017 Start date of project 1st September 2015 Duration 36 months Lead beneficiary UCL Last editor Evghenia Scripnic (UCL) Contributors UCL, CSGI, ARMINES, UoM, NCSR”D”, UA, HIPC, Geomecon, Halliburton Dissemination level Public (PU)

This Project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement no. 640979.

Deliverable 1.2

PU Page 2 of 41 Version 1.2

Table of Contents

Disclaimer ...................................................................................................................................................... 3

History of the changes ................................................................................................................................... 3

Definitions and acronyms .............................................................................................................................. 3

Project Timetable ........................................................................................................................................... 4

1. Summary of Deliverables .................................................................................................................... 5

2. Work Progress by Work Package ........................................................................................................ 8

WP 1 – Management ............................................................................................................................. 8

WP 2 - Shale Core Acquisition and HTHP Handling Capabilities ............................................................ 9

WP 3 - Advanced Imaging and Geomechanical Characterisation ....................................................... 12

WP 4 - Modelling of Confined Fluids ................................................................................................... 14

WP 5 - Formulation of Hydraulic Fracturing Fluids ............................................................................. 19

WP 6 – Analytical Models and Software.............................................................................................. 22

WP 7 – Engineered Materials .............................................................................................................. 25

WP 8 – Optimization ............................................................................................................................ 27

WP 9 – Risk Assessment ...................................................................................................................... 28

WP 10 – Life Cycle Assessment ............................................................................................................ 29

WP 11 – Suggestions for Policy Formulation ....................................................................................... 30

WP 12 – Dissemination ........................................................................................................................ 31

3. Dissemination & Publications ........................................................................................................... 32

4. Financial Analysis .............................................................................................................................. 36

5. Gender Monitoring ........................................................................................................................... 38

6. Future steps for the next 6 months .................................................................................................. 39


Disclaimer The content of this deliverable does not reflect the official opinion of the European Union. Responsibility for the information and views expressed herein lies entirely with the author(s).

History of the changes

Version Date Released by Comments

1.0 18/11/2016 Evghenia Scripnic (UCL) First draft circulated to the partners

1.1 01/12/2016 Evghenia Scripnic (UCL) Additional information including partners’ feedback

1.2 10/01/2017 Evghenia Scripnic (UCL) Final version after the reception of all the contributions

Definitions and acronyms

ARMINES Association pour la Recherche et le Developpement des Methodes et Processus Industriels

BGS British Geological Survey

CSGI Consorzio Interuniversitario per lo Sviluppo dei Sistemi a Grande Interfase

EC European Commission

Geomecon Geomecon GMBH

GFZ Helmholtz-Zentrum Potsdam Deutsches GeoForschungsZentrum

HB Halliburton

HIPC Ustav Fyzikalni Chemie J. Heyrovskeho AV CR, v. v. i.

ICPF Ustav Chemickych Procesu AV CR, v. v. i.

MPa Mega pascal (pressure)

NCSR"D" National Centre for Scientific Research "Demokritos"

PTx Pressure – temperature – composition

Ro Vitrinite reflectance (%); measure of thermal maturity

SXT ShaleXenvironmenT European Consortium

Tcf Trillion cubic feet (for gas reservoir estimates)

TOC Total organic carbon, measured in volume percent (%)

UA Universidad de Alicante

UCL University College London

UoM University of Manchester

Deliverable 1.2


Project Timetable

Year 1

M1 M2 M3 M4 M5 M6 M7 M8 M9 M10 M11 M12

Sep-1

5

Oct-15

No

v-15

Dec-1

5

Jan-1

6

Feb-1

6

Mar-16

Ap

r-16

May-1

6

Jun

-16

Jul-1

6

Au

g-16

Year 2

M13 M14 M15 M16 M17 M18 M19 M20 M21 M22 M23 M24

Sep-1

6

Oct-16

No

v-16

Dec-1

6

Jan-1

7

Feb-1

7

Mar-17

Ap

r-17

May-1

7

Jun

-17

Jul-1

7

Au

g-17

Year 3

M25 M26 M27 M28 M29 M30 M31 M32 M33 M34 M35 M36

Sep-1

7

Oct-17

No

v-17

Dec-1

7

Jan-1

8

Feb-1

8

Mar-18

Ap

r-18

May-1

8

Jun

-18

Jul-1

8

Au

g-18

Deliverable 1.2


1. Summary of Deliverables and Milestones for the period 1/09/2015 – 31/08/2016

WP No

No. Title Lead Beneficiary

Nature Delivery Date

Status

WP1 D1.1 Project management manual UCL Report 31 December

2015

Submitted on 4-Jan.16 Comment: The slight delay in submitting D1.1 (due on January 1st 2016) is due to the Christmas break, which slowed down the partners' final verification process.

WP1 MS1 Interim progress reports 1 UCL Milestone 29 February

2016

Reached Comment: The Coordinator (UCL) has collected an interim report, including estimated costs incurred and progress made so far at Month 6.

WP1 D1.2 Progress report 1 UCL Report 31 August

2016

Submitted on 10/01/2017 Comment: The draft version was submitted on 01/12/2016. Submission was delayed as the delivery date corresponds to the end of the internal reporting period.

WP2

MS4

Shale core samples for characterization 1

Halliburton Milestone 30 November

2015

Reached Comment: The consortium decided to consider MS4 together with MS5 (both rocks samples to be considered in one batch). The fact we decided to go for EU rocks explains this decision not to have two sets of samples. This does not affect the project as all WPs have been able to start, and the rocks within the 2nd batch will arrive on time for MS5 to be reached as planned.

WP2 MS5 Shale core samples for characterization 2

HIPC Milestone 29 February

2016

Reached Comment: Exco core materials (samples) collected through the BG group via UCL/UoM and circulated to partners.

WP2 D2.2 Reservoir conditions for rock library samples

Halliburton Report 31 August

2016 Submitted on 31-Aug.16

WP2 MS6 Shale core samples for characterization 3

Halliburton Milestone 31 August

2016

Reached Comment: Field samples for a comparative study to core sample were received at UCL on 04/08/2016.

Deliverable 1.2


WP4 MS13 Interim kerogens and clay models ARMINES Milestone 31 August

2016

Reached Comment: Previously developed models of smectite and illite/smectite clays have been adapted for the use in the present project. The models reproduce a realistic degree of structural disorder in the distribution of octahedral and tetrahedral isomorphic substitutions in the clay crystal lattice and are compatible with the CLAYFF force field. At the second stage the new computer code SUPERCELL-1.0 will be employed to generate larger-scale clay models by converting available crystallographic structure data with partial occupancy and/or vacancies to ordinary supercell structure suitable for large scale molecular simulations. The results will be available by the end of 2016. Two approaches (simulation protocols) for generation of dense kerogen structures with controlled microporosity have been developed. They are both motivated by the broad diversity of experimentally determined structural characteristics of different kerogen samples and use various methodologies and decision parameters that allow the construction of bulk kerogen models with characteristics tailored to a specific sample. One approach is using the CVFF force field (including the available atomic type-dependent charge increments) and generates microporous models of overtmature type II kerogen. The second approach has been extensively applied for modelling of mature type II kerogen using the GAFF force field with ab-initio derived charges. The void space characteristics have been quantitatively analysed using a grid-based and a Voronoi decomposition-based algorithms. Thermodynamic and elastic properties of the developed models are currently being studied.

WP5 MS17 Principles for the design of fracturing fluids specific for a shale formation

CSGI Milestone 31 August

2016

Reached Comment: "Principles for the design of fracturing fluids specific for a shale formation" (MS17) was reached at CSGI by performing, in sequence, an accurate evaluation of the state of the art, several discussions with the other partners of the SXT project (namely UCL, Halliburton) and external advisors (Lamberti), and according to our preliminary experimental assessments of the physico-chemical properties of frac fluids (in particular rheology and thermal behavior).

Deliverable 1.2


WP6 MS19 Analytical model to describe fluids diffusion in heterogeneous pore networks 1

Geomecon Milestone 31 August

2016

Reached Comment: The milestone is complete; we have implemented the effective medium theory to calculate the effective permeability through a rock with complex pore network. We are considering extensions of the theory to account for anisotropic pore networks. The analytical results are being compared to kinetic Monte Carlo simulations conducted for similar pore networks. We are investigating how to extract information regarding the pore network from experimental data such as high resolution CT scans from shale samples.

WP7 MS22

Samples representative of 5 zeolites with different pore sizes in the range from 0.4 to 0.8 nm with full chemical and textural characterization 1

HIPC Milestone 29 February

2016

Reached Comment: HIPC successfully prepared zeolites and circulated a description of their synthesis and characterization (incl. micro/meso material).

WP7 MS23

Samples representative of 5 zeolites with different pore sizes in the range from 0.4 to 0.8 nm with full chemical and textural characterization 2

HIPC Milestone 31 August

2016 Reached Comment: Waiting for partner feedback

WP8 MS25 Industrial technologies available and emerging for treating flowback and produced water

UA Milestone 31 August

2016

Reached Comment: UA provided the consortium with a full report (82 pages) on available and emerging industrial technologies for treating flowback and produced water.

WP12 D12.4 Website launch NCSR"D" Website… 31 December

2015 Submitted on 18-Dec.15

Deliverable 1.2


2. Work Progress by Work Package

WP 1 – Management Lead beneficiary – UCL

Work Package 1 Management

1-UCL 2-CSGI 3-ARMI 4.UoM 5.NCSRD 6.UA 7.HIPC 8.ICPF 9.GFZ 10.Geo 11. Halli TOTAL

DoA 10.80 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 0.50 24.80

M1-M6 2.06 0.00 0.00 0.00 0.50 0.10 0.00 0.30 0.00 0.30 0.00 3.26

M7-M12 2.06 0.00 0.00 0.00 0.50 0.10 0.00 0.20 0.50 0.16 0.10 3.62

TOTAL 4.12 0.00 0.00 0.00 1.00 0.20 0.00 0.50 0.50 0.46 0.10 6.88

% used 38.1% 0.0% 0.0% 0.0% 66.7% 13.3% 0.0% 33.3% 33.3% 30.7% 20.0% 27.7%

Main Activities

Coordination of the project, decision-making, meetings organisation (kick-off meeting, teleconferences) and

overall communication. Monitoring of research activities. Reporting tasks.

The overall project management is proceeding according to the plan as per Annex 1 to the Grant Agreement with the Management Team which sees the involvement of a European Project Manager (Pauline Chetail) from UCL’s European Research and Innovation Office (ERIO) to carry out the bulk of the management tasks, with input from the Project Coordinator (Prof. Alberto Striolo) and the Vice Project Coordinator (Dr. Adrian Jones).

Task 1.1. Financial, contractual and administrative management. (P1, UCL, M1-36)

As part of Task 1.1, the pre-financing was received by UCL and distributed amongst partners, on the basis of their share of the total project’s budget, in October 2015 in order to guarantee the cash flow needed to start project’s activities. Most of the deliverables and milestones scheduled for the period 01/09/2015 – 31/08/2016 were submitted to the EC or reached successfully – minor delays are detailed in the table above. Standardised document formats were circulated (as part of D1.1 ‘Project Management Manual’) and standard conventions on document naming and formatting were adopted across the project. Effective communication was established through regular exchange of emails, Skype for Business and monthly teleconferences between the WP leaders. In order to facilitate the exchange of up-to-date documents, a secure SharePoint system, hosted at UCL, has been implemented; this acts as the project’s repository for the final versions of the documents. All the partners actively participate in the project monitoring, decision-making process, reporting, financial and contractual administration in their respective institutions.

Task 1.2. Governance and decision-making arrangements. (P1, UCL, M1-36)

After discussion and reaching consensus amongst all partners, the management structure of SXT has been simplified

by combining all 3 proposed advisory boards into a single one. This was done in order to streamline the research and

innovation process, remove duplicative administrative activities and reports, and facilitate the achievement of the

self-imposed research goals.

The change in structure will not compromise the checks and balances set in place during the original proposal, as sub-

committees of the External Advisory Board will advise on Innovation, Research Integrity, and general Research

directions.

Deliverable 1.2


As agreed in the Consortium Agreement, provisions and specific processes have been put in place for the publication

of papers or other dissemination activities. UCL has, as a result, been overseeing and requesting approval to all

publications throughout the first year of the project.

EC – European Commission

MT – Management team

CoP – Council of Partners

WPls – Work Package leaders

IPB – Industrial Practitioners Board

EAB – External Advisory board

The members of the CoP have been elected. Each partner appointed one member and one substitute in case of unavailability of the first member to attend the project’s meetings and take relevant decisions (as detailed in the consortium agreement).

Task 1.3. Formal reporting to the European Commission. (P1, UCL, M1-36)

The Coordinator (UCL) is responsible for the formal reporting to the EC on behalf of the consortium. By virtue of effective project management tools (spreadsheets for tracking tasks progress, periodic reminders by email, regular Work Package Leaders’ conference calls and bi-annual interim reports) that were used to monitor partners’ progress and to identify any potential risks (which could have led to a delay in the project’s activities), results and related reports were delivered to the EC without delay. Thereby, the Coordinator was able to collect and submit all the necessary data on time. The submission of D1.2 Progress report 1, is an exception, since its planned submission date corresponds to the end of the internal reporting period.

Task 1.4. Interim progress monitoring and reporting. (P1, UCL, M1-36)

All partners are responsible to send to the Coordinator Interim reports on a six-month basis. A template for the interim reports, which includes a technical and a financial part, is prepared and sent to all partners by UCL. UCL is in charge of collecting the duly filled out templates, requesting further information and eventually compiling the interim report. Issues, deviations and risks identified at this stage are then discussed during the WP leaders’ teleconference(s). The Interim reports help to track progress against the project’s work plan, planning for the upcoming period and apply any corrective actions (where necessary) in order to minimise deviations from the original the schedule. The Interim report also includes information on major costs, staff effort and publication/dissemination, along with updates on risks and issues.

WP 2 - Shale Core Acquisition and HTHP Handling Capabilities Lead beneficiary – Halliburton

Work Package 2 Shale Core Acquisition


DoA 30.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 9.50 0.00 6.00 48.50

M1-M6 4.49 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 5.49

M7-M12 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 2.00 8.99

TOTAL 8.98 0.00 3.50 2.00 14.48

% used 29.9% 0.0% 36.8% 33.3% 29.9%

Deliverable 1.2


Main Activities

Sample acquisition, preparation, testing. Sampling from field campaign, preparation, characterization.

Task 2.1: Procurement of shale rock samples (P1 and P11, UCL and Halliburton, M1-6, 13-18, 25-30)

WP2 is tasked with gaining access to variable samples for shale gas basins. Halliburton, as the work package leader, help the interaction with industry clients to discuss access to samples for scientific research from actively explored shale gas regions. In order to promote industry-academic collaboration and sample procurement, UCL and Halliburton have developed a standard operating procedure and an example dataset for characterising shale rocks with high shale gas potential, using state of the art imaging and rock mechanical characterization techniques. For the current research projects within SXT, we are focussing on shale rocks from the Bowland Shale basin in the United Kingdom: - British Geological Survey (BGS) core store: We have established an effective routine to access shale rocks from

various borehole being stored at the BGS core store. This includes the April 2011 trial well drilled by Cuadrilla Resources Ltd., which is widely used for shale gas research across Europe. We have collected a sample set of 56 samples from three boreholes stored at BGS from different depths of approximately 2500m, 1300m and 30m.

- Wales core store: UCL has acquired ownership of the British Gas Group core store in Wales which stores over 5 tonnes of shale rocks from mostly North American shale basins. Access to the core store is available by advance planning through either Adrian Jones (UCL) or Kevin Taylor (UoM).

- Bowland Forrest field samples: UCL and GFZ organized and undertook a two-week field season to map and sample

the exposures of the Bowland Shale in central England. We have a large sample set of over 100 kg of samples from the Bowland Shale. The data collected during the field season includes structural data of natural fractures, which contributes directly to work in WP2, WP3 and WP6.

- Limited samples from commercial partners have been shared and investigated at UCL. The results are covered by

embargo, but have helped demonstrate the capabilities of the team.

Deliverable 1.2


Task 2.2. Development of HPHT Laboratory Handling Capabilities (P1 and P11, UCL and Halliburton, M4-27)

Development of high pressure, high temperature (HPHT) laboratory handling capabilities is on-going. UCL is in direct contact with Halliburton sampling team and their novel technique for collecting samples at depth and keeping the samples at reservoir pressure conditions (CoreVault technology). The sampling strategy for the SXT consortium outlined above provides a sample set of stratigraphically identical units from different depth horizons representing the natural and differential exhumation history of the shale rocks over geological time (millions of years). The characterization of these samples will provide the baseline comparison for samples collected from deep boreholes with rapid decompression during exploration and sampling, and natural exhumation of rocks over geological time-scales. Using the HPHT CoreVault technology we can expand this database by testing controlled decompression rates and developing techniques to image and measure fracture mechanics before and after decompression.

Task 2.3. PTx Analysis of Shale Rock Samples (P1, UCL, M7-33) The results of a literature review, combined with new data out of SXT are summarised in the D2.1 deliverable submitted in August 2016 (see example table of the Bowland Shale PTx summary). We have identified key shale gas basins across Europe and identified the known pressure-temperature-compositional (PTx) data for targeted gas-potential horizons. We compare depth estimated with published data and down-hole telemetry data from Halliburton. We are combining this database with the on-going characterisation of shale rock samples collected.

Deliverable 1.2


Task 2.4. Contextualization of the Sample Rocks (P1, UCL, M7-12, 19-24, 31-36) The results out of shale rock characterisation and on-going analyses will contribute to the further understanding of shale samples and the mechanical and compositional controls on shale gas production, storage and exploitation potential.

WP 3 - Advanced Imaging and Geomechanical Characterisation Lead beneficiary – UoM

Work Package 3 Advanced Imaging


DoA 3.00 6.00 0.00 36.00 0.00 0.00 0.00 24.00 2.85 0.00 71.85

M1-M6 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 5.00 0.00 0.00 5.66

M7-M12 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 3.00 0.00 0.00 4.50

TOTAL 0.00 0.00 2.16 8.00 0.00 10.16

% used 0.0% 0.0% 6.0% 33.3% 0.0% 14.1%

Main Activities

Sample acquisition, preparation, calibration, testing. Traditional characterisation of Bowland shale characterisation with high-resolution 2D and 3D techniques,

including porosity and mineralogy. Creep testing.

Task 3.1. Full traditional characterisation of microstructure, porosity, pore size distribution in shale rock samples (P4,

P9 and P1, UoM, GFZ and UCL, M1-18) Thirteen samples of Bowland shales were collected in the British Geological Survey (BGS) in Nottingham. First of all, three key facies of Bowland shale from the borehole Preese Hall-1 (UK) were identified from the cm to µm scales, using optical and scanning electronic microscopies, x-ray diffraction and total organic content measurements. The unlaminated, interlaminated and laminated quartz-rich facies of Bowland shale were characterised with traditional techniques. The mean TOC in the range of samples is 2.88 wt%. All samples are quartz-rich and clay-poor (Table 1). The high TOC (>2 wt%), low clay content (<20%), high proportion of quartz (>50%) and the presence of natural fractures such as calcite-sealed and bitumen-filled fractures, confirm the increasing interest for a potential oil and gas reservoir in Bowland shale.

Table 1 : Facies, bulk XRD mineralogy and TOC results of various samples of Bowland shale

Proportions (wt%)

Reference

SSK

Depth

(meters) Facies Kaolinite Quartz Calcite Ankerite Pyrite Muscovite Albite TOC

Bo

wla

nd

sh

ale

B1 65478 2073.3410 Unlaminated

quartz-rich 0.0 57.3 15.0 12.9 2.1 9.3 3.4 1.4

B2 65479 2081.2658

Transition un-

to

interlaminated

quartz-rich

5.2 53.0 17.1 0.6 8.0 10.9 5.2 4.1


quartz-rich 5.3 64.9 4.4 4.1 3.8 11.2 6.2 1.7

B5 65482 2091.69 Interlaminated

quartz-rich 5.7 56.3 11.9 5.7 5.9 9.9 4.6 3.2


quartz-rich 7.0 70.7 6.1 1.8 0.9 9.9 3.6 6.1

B7 65484 2488.8444 Interlaminated

quartz-rich 3.4 68.2 9.5 2.9 2.4 9.5 4.1 1.5

B8 65485 2495.2756 Laminated

quartz-rich 18.4 51.7 3.5 11.1 1.6 5.1 8.6 1.1


Quartz-rich 5.7 52.2 20.8 2.9 4.8 9.0 4.6 2.1

B10 65487 2500.4877 Unlaminated

quartz-rich 5.0 55.6 17.5 1.2 5.3 10.5 4.9 2.0

Deliverable 1.2


Four types of organic matter particles were identified: micrometre particles with macropores (which probably result from algae cysts), micrometre particles without macropores, micrometre layers, particles <µm in the cement and between clay minerals and organic particles in oversize macropores. The identification and the qualitative petrological characterization of 3 key facies of microstructure and 4 types of organic matter particles will guide the choice of key samples for 3D investigation (Task 3.2) and geomechanical characterisation (Task 3.3 and 3.4) and key organic matter particles to image the pore network inside kerogen (Task 3.2). Second, one sample representing the laminated quartz-rich facies of Bowland shale was quantitatively characterized by a multi millimetre mosaic of SEM images. This study shows the vertical variability of microstructure at the millimetre scale with laminae with higher-than-background TOC, suggested in the literature. Moreover, He-porosity measurements were performed in Posidonia shale showing mean porosity of 3.7% and mean TOC f 6.29 wt%. For geomechanical characterization, 13 additional shale core samples were collected at BGS, including 7 Upper Bowland and 3 Lower Bowland shale samples from the deep borehole Presse Hall 1, and 3 samples from the shallow borehole Marl Hill Moor. Due to the lack of sufficient core material, we collected also outcrop samples from the Upper Bowland shale formation and prepared for comparison samples from mature Posidonia (Harderode well) cores. All samples were characterized in terms of mineralogy (using XRD analysis) and total connected porosity (using He-porosimetry). The composition of the BGS core samples is quite variable with either high (> 50 wt%) quartz or high carbonate content, even within the same formation. The clay content is minor (< 3 wt%) and the He-porosity 2-3%, except Marl Hill Moor samples with 7-13% porosity. Upper Bowland outcrop samples are quartz-rich, but their porosity is higher (~ 8%) than of the core samples. The selected Posidonia samples with a porosity of 3% are calcite-rich and contain about 28 wt% clays.

Task 3.2. Characterisation of 3D structure and pore networks, time dependant permeability, imaging of flow (P4, P9 and P1, UoM, GFZ and UCL, M6-36) According the results of Task 3.1, five samples of Bowland shale which represent the unlaminated, interlaminated and laminated facies were scanned with pink beam in the beamline I13 (Diamond Light Source, RCaH, UK) at different magnifications and for a resolution up to 0.33 µm.voxel-1

. Pore size distribution and isotherms were performed by Imperial College. NanoCT are planned to compare multi-scale 3D imaging, gas adsorption and porosity measurements on the key facies of Bowland shale.

Task 3.3. Characterization of mechanical properties and high pressure of shale rock samples (P4 and P9, UoM and GFZ, M5-30)

To better understand the hydraulically induced fracture opening and subsequent creep-related healing processes by X-ray synchroton imaging, a The hydraulic fracturing rig has been designed for preliminary tests in lab. Some X-ray attenuation tests through aluminium walls and a shale sample were carried out in Xray tomography in the beamline I13 (Diamond, RCaH, UK). The proposal to AP2021 in Diamond Light Source was applied in October 2016 for spring/summer 2017. Mechanical tests were done on samples cored perpendicular to bedding. In addition, a set of calibration tests were performed to allow for correction of load supported by jacketing materials used to prevent intrusion of the gas confining pressure medium. Constant strain rate tests at 50 MPa confinement and 100°C temperature show that Bowland shale is relatively brittle with high strength and minor inelastic deformation before failure. In comparison, the porous Posidonia and Marl Hill Moor shales are weaker and less brittle. A clear correlation between composition and strength or static Young’s modulus is not evident so far, but the compressive strength clearly increases with increasing Young’s modulus. A comprehensive series of constant load (creep) tests on Posidonia shale at P = 75 MPa and T = 90°C show mainly transient (primary) deformation, where the creep strain(rate) increases with increasing stress. Similarly, the creep strain increases with increasing temperature (between 75 and 100°C) at fixed pressure and stress, but decreases at with increasing pressure (65 – 115 MPa) at given temperature and stress. These results show that the relatively weak and ductile Posidonia shale exhibit semibrittle deformation under reservoir P-T conditions.

Deliverable 1.2


Therefore, mechanical tests performed at ambient pressure and temperature are not adequate for the prediction of (hydraulic) fracture healing. Similar tests on the Upper Bowland outcrop shale are on-going to highlight the influence of composition on the creep properties.

WP 4 - Modelling of Confined Fluids Lead beneficiary – ARMINES

Work Package 4 Modelling of Confined Fluids


DoA 3.00 6.00 34.50 0.00 44.00 0.00 0.00 22.50 0.00 0.00 0.00 110.00

M1-M6 0.00 0.00 0.50 0.00 3.00 0.00 0.00 5.00 0.00 0.00 0.00 8.50

M7-M12 0.00 0.00 0.39 0.00 8.00 0.00 0.00 3.50 0.00 0.00 0.00 11.89

TOTAL 0.00 0.00 0.89 11.00 8.50 20.39

% used 0.0% 0.0% 2.6% 25.0% 37.8% 18.5%

Main Activities

Development of new models of clay structures for molecular dynamics simulations. Molecular simulation work for kerogens and clays, preliminary predictions of density for various structures and

transport properties. Modelling of organic and inorganic part of shale. Modelling of salt solubility in clay pores. Molecular simulation of complex fluids in confinement.

Task 4.1. Develop accurate models for clays typically found in EU shale formations. (P3, ARMINES, M1-18)

The work is slightly delayed by the delayed hiring of a postdoctoral researcher. The work has started on September 1, 2016, and will be made up by the delivery deadline in M18.

Task 4.2. Develop atomistic models for kerogens (P8, ICPF, and TAMUQ, M1-12)

The first steps to modelling systems of interest in the field of shale gas exploration have been accomplished. Initially, a general familiarization with the topic and the available tools was done. This included a basic literature review of the field of shale gas. On the calculations side, it is being attempted to construct realistic model structures of kerogen, given available experimental information in a robust and reproducible way. Model molecules available in the literature were exploited. These molecules are placed in a box using existing software. Attempts to put the molecules directly in realistic densities failed as a consequence of inability to avoid overlaps. Therefore a small number of molecules are placed randomly to a cubic box at very low density. Then a staged cooling procedure using classical MD simulation followed in order to obtain the structure at the conditions of interest. The characteristics of the porosity have also been studied. This work serves as a base for future work which includes: (a) further elaboration on the method construct kerogen models, (b) more detailed characterization of the structure and the porosity, (c) construct new “molecules” of kerogen and (d) study systems of kerogen with small molecule(s) confined in it. Porous models of kerogens were generated using compression and cooling of a low-density randomly packed configuration of kerogen units. The kerogen units respect the experimental atomic composition of the actual kerogen. This approach turned to be simpler and more realistic than the originally proposed polymerisation approach. Resulting kerogen structures were characterised in terms of the accessible surface area, pore size distribution and structure connectivity.

Significant progress towards modelling systems of interest to the shale gas industry has been accomplished. Building on the knowledge that is acquired by the continuous literature review, interaction with the project partners, our view on the necessary modelling strategies has been broadened. Another force field has been used for the calculations and

Deliverable 1.2


the effect of such a choice has been assessed. While other attempts failed, a strategy based on dummy Lennard-Jones (LJ) particles has been adopted for generating bulk kerogen structures with controlled porosity having desired characteristics. Different number and sizes of weakly interacting LJ particles were inserted in the system during the staged cooling and it was investigated how void space distribution and other thermophysical properties (e.g. density) are affected. Such an approach is regarded necessary in view of the diverse results of the experimental measurements even for different samples of the same shale play. Furthermore, the accuracy of the algorithms that had been widely used was compared with other algorithms. This led to the initiation of an endeavour to write a more accurate yet efficient code for the analysis of the free volume of the kerogen. This algorithm is based on Voronoi tessellation with an analytical estimation of the free and accessible volume in the kerogen matrix. The adsorption properties of small organic molecules in the pores of kerogen have been studied. Adsorption isotherms at 298 K and 398 K in the various kerogen structures (with and without the LJ particles) were generated up to 250 atm, for CH4, C2H6, and C4H10. The effect of the LJ dummy particles on the isotherms was investigated and it was established that the absorbed amount strongly correlates with the accessible volume of the matrix. Future work includes (a) the study of mixtures relevant to shale gas industry, (b) the diffusion of pure compounds and mixtures in the kerogen and (c) the study of the elastic properties of kerogen.

Kerogen molecular unit (Barnett shale, overmature, gas zone kerogen).

Barnet-shale proxy kerogen structure and its pore size distribution (r=1.1g/cm3)

Deliverable 1.2


Same kerogen structure as in prior page, but with different resolution

Cs−montmorillonite clay and 10 wt% ethanol solution in water. The clay model corresponds to Wyoming−montmorillonite with Mg/Al substitutions in both tetrahedral and octahedral sites ((B.F.Ngouana-Wakou and A.G. Kalinichev, J. Phys. Chem. C, 118, 12758–73 (2014)).

Deliverable 1.2


Mature type II kerogen model (simulation cell with 15 molecules). The prototype molecule was created to reflect Barnett shale data, modifiebased on the model of P.Ungerer, et al., Energy & Fuels 29, 91–105 (2015).

Task 4.3. Molecular simulation of aqueous systems, including fracturing fluids, salts and compressed gases, in clays

and kerogens. (P5, NCSR “D”, M7-36) The simulations of water-salt fluids in clay and kerogen systems have been started and will continue in the coming months (see section Future activities and Plans below).

Task 4.4. Simulate mixed fluids in clays and kerogens (P8, ICPF, and TAMUQ, M13-24) Adsorption behaviour and pore space accessibility of methane, mixture of methane, ethane, and propane and carbon dioxide in the porous kerogens were quantified by the grand canonical Monte Carlo and molecular dynamics, employing OPLS-AA and EPM2 force-fields for alkanes and carbon dioxide.

Task 4.6. Simulate fracturing fluids in clays and kerogens (P8, ICPF, and TAMUQ, M13-36)

To address a high content of salt in back-flow fracturing fluid we studied behaviour of a salt crystal in the clay pores filled by aqueous solution by molecular dynamics. In addition, we carry out grand canonical Monte Carlo simulations to predict the salt solubility in the clay pores as a function of their size.

Percolation paths in a 15 II-D GAFF model of kerogen.

Deliverable 1.2


Elemental analysis of the percolated pore of a 15 II-D GAFF kerogen configuration. Percentage is calculated with respect to the total number of atoms of corresponding type in the simulation box.

NaCl crystal in a pyrophyllitt clay pore (108 ion pairs, 2000 water molecules).

NCl crystal and dissolved ions in a pyrophyllite clay pore (108 ion pairs in crystal, 200 dissolved ion pairs, 2000 water molecules).

0

20

40

60

80

c3 hc os ca na h2 ha h1 ss hn nb h4

per

cen

tage

%

GAFF atom types

T=365K

after melting

Pz=275bar

Growing salt crystal

Deliverable 1.2


Task 4.7. Apply equations of state to systems relevant for shale gas production (P5, NCSR “D”, M1-18)

There is a delay with respect to Task 4.7 because of lack of a suitable junior researcher to work on the project at NCSR “D”. The task will be executed in Texas A&M at Qatar where a relevant activity is on-going.

WP 5 - Formulation of Hydraulic Fracturing Fluids Lead beneficiary – CSGI

Work Package 5 Formulation of Fracturing Fluids


DoA 2.00 37.50 0.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 44.00

M1-M6 0.00 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9.00

M7-M12 0.00 12.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.50 13.50

TOTAL 0.00 21.00 1.00 0.50 22.50

% used 0.0% 56.0% 33.3% 33.3% 51.1%

Main Activities

Literature search. Experiments of surface tension, rheology, infrared spectroscopy, thermal properties, clock reaction, electrical

response, flow rate (preliminary tests). Preliminary formulation of frac fluids. Study of the characteristics of hydraulic fracturing water, typical compositions, flow and its impact on the

characteristics of flowback and produced water.

Task 5.1. Prepare formulations specific for EU formations (P2, CSGI, M1-6). We are exploring the suitability of green formulations based on guar gum, sodium alginates and sodium hyaluronates water dispersions that are meant to be the basis for frac fluids to be used in EU formations. The dispersions and the pristine pure chemicals have been examined to assess their rheological properties, thermal behavior and spectral features, in order to control their behavior as frac fluids. The perspective work includes the addition of different surfactants to the preliminary formulations and the reduction of gelling agent concentration, in compliance with inputs from other partners. We will test environmentally friendly surfactants (cationic, anionic and non-ionic surfactants) and green crosslinkers to obtain optimal viscosities and flowing properties for our formulations.

Task 5.2. Laboratory testing of formulations (P2 and P1, CSGI and UCL, M7-12, 19-24, 31-36) In order to assess the principal physic-chemical properties of our formulations these laboratory test were performed: rheology and viscosity measurements (flow curves) also on one month-aged samples, evaluation of gel responsivity to electrical stimuli, contact angle, thermal characterization (DSC, TGA), infrared spectroscopy, preliminary evaluation of flow rate (inversion test). We evaluated the possibility to apply the Belousov-Zabhotinsky (BZ) clock reaction to modify, over the time of the whole fracking procedure, the viscosity of the fracturing fluid. Through this reaction we can associate a different viscosity in consequence of the various chemical species present in solution. We were able to arrest the overall reaction at the end of the first cycle (normally the BZ runs for more and more cycles) and delaying the start time. By applying a potential difference of 10 V for 30 minutes, we observe that both Guar Gum and Sodium Hyaluronate gels exhibit a remarkable decrease in terms of viscosity. After this period the fluid flows more easily and we are able

Deliverable 1.2


to separate a liquid part from a gelled one. In the following table average value of liquid part are listed for the three main category of gelling agents tested.

Gelling Agent Applied Voltage (V) Experiment Time Average Recovered Liquid Part (%)

Guar Gum 1% 10 V 30 min 32 %

Sodium Hyaluronate 1% 10 V 30 min 54 %

Sodium Alginate 1 % 10 V 30 min 19 %

Thus, the application of a voltage can be an efficient tool to modify the fluid viscosity during different steps of the fracking procedure.

Task 5.3. Examination of the effects of different salts on the tested formulations in the first step (P2, CSGI, M7-18) The same parameters acquired in Task 5.2 were measured in the presence of high salt contents. More in detail:

- Rheology

Rheology experiments showed that the presence of different salts or co-solutes at medium-high concentration has a remarkable influence on the formulation viscosity. This effect can be observed both in the case of guar gum and sodium hyaluronate-based formulations.

Deliverable 1.2


- DSC

Differential Scanning Calorimetry (DSC) experiments demonstrated that the presence of a salt or co-solute at different concentration modifies the interactions between the polymer chains and the solvent (water), determining a different behaviour of the formulations. The results obtained for sodium alginate (SA) and sodium hyaluronate (SH) were similar to guar gum (GG, which are reported in the previous figures), and they were confirmed by Thermogravimetric Analysis (TGA) measurements.

- Electrical Stimulation

The gel responsivity to electrical stimuli was examined also in the presence of different salts and/or co-solutes. The results suggest that in these conditions the recovered liquid part increases and the effect of the stimulus is amplified by the higher ionic strength, as expected.

Deliverable 1.2


WP 6 – Analytical Models and Software Lead beneficiary – Geomecon

Work Package 6 Analytical Models and Software


DoA 10.00 0.00 0.00 0.00 9.50 0.00 3.00 3.00 0.00 16.00 0.00 41.50

M1-M6 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.85 0.00 4.85

M7-M12 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 2.70 0.00 6.70

TOTAL 0.00 4.00 0.00 2.00 5.55 11.55

% used 0.0% 42.1% 0.0% 66.7% 34.7% 27.8%

Main Activities

Development of molecular simulation methodology and software for fluid mixtures in clays. Implementation roadmap, refactoring and extension of roxol (geomecon software) in preparation for Task 6.4. Roxol workshop for WP6 participant (UCL). Development of new algorithms and software for free volume analysis of kerogens and clays. Modelling of diffusion in inorganic part of shale. Implementation of a kinetic Monte Carlo method to simulate transport in connected pores (tested on a 1D case). Implementation of the Effective Medium Theory (EMT) to describe fluid transport in 3D pore networks. Critical examination of the applicability of the EMT approach to describe transport in shale rocks. Research on geomechanical models and test simulations. Refactoring of roxol and tuning of models.

Task 6.1. Incorporate detailed simulation results into transport models (P1, UCL, M13-18, 25-36)

Calculation of the configuration and dynamic properties of systems by means of molecular modeling requires to post process trajectories obtained from molecular dynamics simulations at given conditions of temperature and pressure. These simulations are usually conducted using well established and highly optimized open source parallel programs like LAMMPS, NAMD, GROMACS and AMBER which are widely adopted in academia and industry. In this period, we (UCL) calculated transport of methane in confined water (slit-shaped pores, manuscript published in ACS Nano), we (UCL) conducted a detailed analysis of methane transport in water confined in various narrow pores (manuscript in preparation), and we (NCSRD) initiated the development of a general purpose software for the post-process of molecular simulation data. A primary objective besides the efficiency of the calculations is to produce a code which can be easily modified and extended with new functionalities. Currently, we are in the stage of design optimization using as pilot cases the calculation of self-diffusion coefficients in water based systems under confinement in clays and the calculation of the accessible volume and the pore size distribution of kerogen structures. We are extending a general propose software developed in NCSRD’s lab for the post-process of molecular simulation data. A primary objective, besides the efficiency of the calculations, is to produce a code usable in complex calculation workflows which can be easily modified and extended with new functionalities. Currently, we have completed the implementation of a module for the calculation of the diffusion coefficients of system components in bulk as well as under confinement. The ability to predict the diffusion coefficients in defined parallelepiped slabs enables the calculation of dynamic properties as a function of the distance from a solid surface when the system is under confinement (e.g. water in a mixture confined in clay slit pore). Furthermore, we are working on the development of a module enabling porosity characterization (e.g. pore size distribution, limiting pore diameter) in amorphous and crystalline porous materials. The implemented scheme essentially combines the Voronoi tessellation with the Dodd and Theodorou algorithm for the analytical calculation of the free/accessible volume. Due to the inherent ability of the scheme to trace diffusion paths existing in porous materials, it can serve as basis to study the diffusion of small or medium size penetrants in the narrow pores that exist in the kerogens using advanced modeling techniques.

Deliverable 1.2


Task 6.2. Develop geophysical models for pores in small fragments of shale rocks. (P1, UCL, M1-12, 19-24) We are simulating explicitly the behavior of fluids in the kerogen portion of shale (work performed by ICPF in WP4), as well as in the clay portion of it (work performed by NCRD, TAMUQ and ARMINES in WP4). To integrate this behavior in larger portions of shale rocks we (UCL) are implementing the kinetic Monte Carlo (kMC) approach. So far we have demonstrated the effectiveness of the method in a 1 dimensional pore network, reproducing molecular dynamics simulations published by our group in ACS Nano. The manuscript is in preparation. We are now extending the kMC approach to 2 and then 3 dimensions. Simultaneously, we are implementing the Effective Medium Theory (EMT) to predict the effective transport of fluids in a pore network. We have searched the literature and made independent calculations, with comparison against experimental data. We are identifying the boundaries within which the EMT approach provides reasonable estimates. As soon as the kMC model will be available in 2 and 3 dimensions, we will compare the two methods. The pore-network models are prepared via visual analysis of X-ray tomography data from samples of shale rocks. We have so far used results obtained within this project from a shale sample of commercial relevance, to guide the calculations. A rigorous method to extract pore network information from experimental characterization is still in preparation, and it is hindered by the resolution of experimental capabilities.

Task 6.3. Develop a geophysical model for the pore network in shale formations (P1 and P10, UCL and Geomecon, M1-12, 19-24) - overview of state-of-the-art techniques for simulation of fluid flow in fractured porous media - roxol implementation roadmap (poroelasticity/fluid flow) - roxol training for UCL student - discussions to develop a model to incorporate fluid diffusion into flow models - examination of pore-fracture interaction at larger scale - literature research, discussions, simulations

We have obtained access to large samples of shale rocks,which will be used to obtain detailed information regarding the properties of shale rocks. In the near future this will be used for developing more realistic pore-network modelst o be simulated wihtin Roxol.

Task 6.5. Validation against experimental observations. (P1 and P10, UCL and Geomecon, M7-18, 25-30)

Experimental data on permeability have been obtained on the same samples for which the pore network was analysed using X-ray tomography. These data will be used for validation.

Task 6.6. Use the models to predict fluid transport in various EU shale formations. (P1 and P10, UCL and Geomecon, M25-36)

Initial simulations have been run, delivering promising results. The viewgraphs depict some examples.

Deliverable 1.2


Problems / difficulties encountered: Understanding Halliburton software Nexus, NETool (e.g. its input and output) seems complex and complicated due to several issues.

Deliverable 1.2


WP 7 – Engineered Materials Lead beneficiary – HIPC

Work Package 7 Engineered Materials


DoA 3.00 0.00 0.00 0.00 0.00 0.00 36.00 3.00 0.00 0.00 0.00 42.00

M1-M6 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 2.16

M7-M12 0.00 0.00 0.00 0.00 0.00 0.00 11.08 1.50 0.00 0.00 0.00 12.58

TOTAL 0.00 13.24 1.50 14.74

% used 0.0% 36.8% 50.0% 35.1%

Main Activities

Synthesis of zeolites and hierarchic materials as per the proposal. Characterization of prepared porous materials by adsorption, X-ray powder diffraction and microscopy. Modelling of adsorption and diffusion in zeolites.

Task 7.1. Synthesis of zeolites with features representative of shale rocks (P7, HIPC, M1-6)

Based on the project proposal, we have synthesized relevant zeolites / zeotypes using hydrothermal synthesis methods. We prepared 5 samples: in particular 10-ring aluminophosphate AEL, 12-ring aluminophosphate AFI (both having one-dimensional channel system), 10-ring zeolite MFI, 12-ring zeolite BEA, and 12-ring zeolite FAU (all have three-dimensional system of intersecting channels, in addition, FAU has cages larger than pore size). All synthesized zeolites were characterized using X-ray powder diffraction, adsorption to describe textural properties of these materials, and microscopy.

Task 7.3. Characterization of the engineered materials (P1 and P7, UCL and HIPC, M4-12, 16-24)

Currently we perform the adsorption experiments using, methane, ethane and water to describe hydrophilicity/hydrophobicity of these materials.

Task 7.4: Characterization of the fluid behaviour and transport through the engineered materials (P1 and P7, UCL and HIPC, M13-18, 24-36) Using unit-cell information from Database of Zeolite Structures, supercells of experimentally measured zeolites were built and nitrogen adsorption in microporous zeolite ZSM-5/35 was measured. Mesoporosity in form of a cylindrical pore was introduced into the microporous zeolite ZSM-5/35 and adsorption simulation of gases are under way.

Deliverable 1.2


Synthesis procedure for AlPO4-11 • Boehmite (Catapal B), dipropylamine • H3(PO)4 85%, H2O • Hydrothermal synthesis, 190 °C, 22 hours • Agitation • Filtration, washing, drying • Calcination, 550°C, 10 h, 2°C/min

Model crystal structure (top right), crystallographic data (middle left), TEM (middle right) and adsorption isotherms of water

vapour at 293.2 K (bottom). To characterise the materials, we used, e.g., X-ray, TEM, and we measured adsorption isotherms of a few gases, including water vapour.

Deliverable 1.2


WP 8 – Optimization Lead beneficiary – UA

Work Package 8 Optimization


DoA 3.00 6.00 0.00 0.00 0.00 38.45 0.00 0.00 0.00 0.00 0.50 47.95

M1-M6 0.00 0.00 0.00 0.00 0.00 6.00 0.00 0.00 0.00 0.00 0.00 6.00

M7-M12 0.00 0.00 0.00 0.00 0.00 10.00 0.00 0.00 0.00 0.00 0.00 10.00

TOTAL 0.00 0.00 16.00 0.00 16.00

% used 0.0% 0.0% 41.6% 0.0% 33.4%

Main Activities

Bibliographic review. Modelling multiple-effect evaporation-mechanical vapour-compression equipment for flow-back water

treatment (including different processes such sedimentation, coagulation, ultrafiltration, etc.), in order to use different water treatment such as reverse osmosis, thermal treatments, etc.

Initial result analysis. Developing models for thermal distillation with mechanical vapour recompression, detailed equipment design.

Models under uncertainty, integration with renewable energy sources.

Task 8.1. In depth analysis of state-of-the-art industrial water treatment technologies. (P6, UA, M1-6) This task is divided into two sub-tasks:

Task 8.1.1. Analysis of available technologies A review of the characteristics of the water produced in the shale gas production as well as the main water pre-treatment and water treatment has been performed in order to conform a general superstructure for the pre-treatment of flow-back water (including different processes such as sedimentation, coagulation, ultrafiltration, etc.), in order to satisfy the requirements of the inlet water of different water treatment selected in the field of water desalination and shale gas production, such as reverse osmosis, thermal treatments (multiple-effect evaporation-mechanical vapour-compression, membrane distillation, …), etc.

In the case of the water pre-treatment quantify industrial status, constraints in feed water quality, expected concentration of Total Dissolved Solids (TDS), Total Suspended Solids (TSS), concentrations of scale-forming chemicals, barium, calcium, and magnesium in the processed water, energy use, costs, waste management.

Task 8.1.2. Development of mathematical models to represent each available water-treatment

A general superstructure has been initially model by using disjunctive programming, for the pre-treatment of flow-back water (including different processes such sedimentation, coagulation, ultrafiltration, etc.), in order to satisfy the requirements of the inlet water of different water treatments. This model allows to analyse the optimal design of the water pre-treatment technologies depending mainly on the composition of the water to be treated. At this moment only economical costs (capital and operating) are considered. However, the same model can be used to solve multi-objective problems where the environmental impacts were also included in the objective function. In the same sense, a model to determine the optimal design of a multiple-effect evaporation-mechanical vapour-compression equipment for flow-back water treatment has been developed.

Deliverable 1.2


In both cases, the corresponding sensibility analysis have been done regarding the influence of the initial feed flow rate of flowback water and its composition. So far, the main difficulties founded are the lack of information disposable regarding the composition of the flowback water in the shale gas production, flow rates, and actual commercial modules for shale water treatment, etc.

Task 8.2. Analysis of hybrid multi-technology approaches for water management. (P6, UA, M7-12).

We have extensively studied the most promising technologies for flowback and produced water treatment and management. The major conclusion is that for water with salinities lower than ~45000 ppm the best treatment technologies are those based on membranes (reverse osmosis) and that for higher salinities the best alternatives are thermal technologies. Among those the most promising are the hybrid multistage Evaporation with mechanical vapour recompression; membrane distillation and the continuous evaporation/condensation alternatives. In all the cases the focus is on approach the zero liquid discharge objective. This translates in obtaining brine concentrations as near as possible to the saturation concentration.

Task 8.3. Construction of the general superstructure for water management. (P6, UA, M13-18) We are reviewing the main alternatives for the superstructure. Basically we can differentiate between the water management before hydraulic fracture (transportation, storage and conditioning of water for being used in the hydraulic fracture) and after hydraulic fracture that also includes the water treatment.

Task 8.4. Data collection and compilation. (P6, UA, M7-18) This tasks was, in fact, started at the very beginning of the project because we realize that using actual data allows developing more accurate models. The major difficulty is related with the lack of information of European formations (there are no too much drilling operations and there are no wells near to economic exploitation). We are going around this problem developing models that can be adapted to different operating conditions and wells characteristics by simply changing the data as soon as they are available. At the same time we are using ‘projections or forecasts’ about the characteristics of European formations and at the same time we are developing models that explicitly include uncertainty.

WP 9 – Risk Assessment Lead beneficiary – UCL

Work Package 9 Risk Assessment


DoA 12.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 4.00 0.00 18.00

M1-M6 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17

M7-M12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17

TOTAL 4.34 0.00 0.00 4.34

% used 36.2% 0.0% 0.0% 24.1%

Main Activities

Literature review of probabilistic seismic hazard assessment methods. Simulation and analysis of existing statistical models. Development of approaches for Monte Carlo analysis for quantification of model uncertainty impacts. Attendance and presentation at consortium meeting, Liblice, Czech Republic 19th – 22nd of June 2016. Development of a two-phase blowout model for vertical wells.

Deliverable 1.2


Task 9.1. Development of a reliable wellhead blowout model. (P1, UCL, M1-18)

We are using our transient homogeneous flow model as the starting point for the outflow simulation following explosive well blowout. Suitable flow and phase dependent heat transfer and frictional correlations, including the appropriate boundary conditions are being tested for typical well fluid compositions and operating temperatures and pressures identified in consultation with WP8 leader. At the same time we are reviewing appropriate hydrocarbon jet fire models, and TNO explosions models for linking to the outflow model. The computational interface linking our outflow with the consequence models (e.g fire and explosion) is also under development.

Problems / difficulties encountered:

No significant problems although the external advisory committee initially suggested expanding the scope of this deliverable to consider flow simulation following the failure of high pressure surface pipework handling ground water stimulating fluids. However, following further detailed communication with the relevant advisory board member, Pickard Trepess, it was concluded that the risk of such failure given the precautions undertaken in practice may be considered to be marginal to as low as reasonably practicable and therefore not worthy of further investigation.

Task 9.3. Develop a methodology for quantifying the likelihood of natural and induced seismic activity due to hydraulic

fracturing. (P1, UCL, M1-18)

We have undertaken background work for scoping the design and implementation of models that can make a probabilistic prediction of induced seismicity with fluid injection at a hydraulic fracturing site. A detailed literature review and comparative modelling investigation of existing statistical models for probabilistic hazard assessment of induced seismicity related to hydraulic fracturing has been conducted. Such models utilise a range of inputs, including injection volume and period, fault characteristics and rock properties, such as the modulus of rigidity. The models that have been examined so far also consider the fluid injection shut-in time, as the decay of seismicity subsequent to the termination of injection. Some limitations in the models were identified such as the total fluid injected not being directly considered or the requirement of prior knowledge about induced seismicity behaviour. As such, initial work focussed on the construction of hybrid models that may better describe the influencing factors. Additionally, ranges of uncertainty for input parameters have been investigated followed by Monte Carlo analysis of the uncertainties’ impact on the models output variance. Recently, we have been reviewing detailed spatiotemporal models that can be applied on the MATLAB platform, in addition to considering how such models could be interfaced with geo-mechanical modelling approaches. Given the finite resources available to carry out this work, we have been actively proposing MSc and MEng Research projects in support of this work in the new academic session.


No real issues, but our future work will consider the differences of seismicity induced by hydraulic fracturing as compared to other types of fluid injection (e.g., enhanced geothermal and waste-water injections).

WP 10 – Life Cycle Assessment Lead beneficiary – UCL

This WP has not started yet

Work Package 10 Life Cycle Assessment

1-UCL

2-CSGI 3-ARMI 4.UoM 5.NCSRD 6.UA 7.HIPC 8.ICPF 9.GFZ 10.Geo 11. Halli TOTAL

DoA 10.00 0.00 0.00 0.00 0.00 6.00 0.00 0.00 0.00 0.00 0.50 16.50

M1-M6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00

M7-M12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00

TOTAL 0.00 0.00 0.00 0.00

% used 0.0% 0.0% 0.0% 0.0%

Deliverable 1.2


WP 11 – Suggestions for Policy Formulation Lead beneficiary – UCL

Work Package 11 Policy Formulation


DoA 10.00 2.00 1.00 0.00 2.00 2.00 0.50 2.00 0.00 0.00 0.00 19.50

M1-M6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00

M7-M12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00

TOTAL 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00

% used 0.0% 0.0% 0.0% 0.0% 0.0% 0.0% 0.0% 0.0%

Main Activities

Literature review European legislation desktop review Compiling report on issues following interviews with stakeholders in relation to hydraulic fracturing (Australia,

North America)

Task 11.1. Quantify the success, or lack of success, of existing regulatory frameworks that address environmental impacts and natural resources management in the context of unconventional gas development. (P1, UCL, M19-24) This task has commenced but is not yet completed. Our preliminary overview of the regulatory environment for shale gas development in Europe is summarised below: - Member states are responsible for hydrocarbon regulation, including shale gas. - General EU legislation and specific pieces of EU environmental legislation apply to unconventional gas activities

from the planning stage to cessation of activities. - There are similarities in the regimes applicable to licensing in EU member states but requirements vary; e.g., with

regard to EIA, water use and re-use, limits of chemical contaminants and disposal of produced water. - The legislative regime in England is the most comprehensive at this stage. - Work has been undertaken in the regulatory area by the EU Network for the Implementation and Enforcement of

Environmental Law (IMPEL) considering best practice in the onshore oil and gas industry, with a view to regulators learning lessons from each other and identifying best practice across Member States, as well as regulatory gaps.

Problems / difficulties encountered: The difficulty in reviewing relevant legislation/regulations in some EU countries, due to lack of facility in European languages other than English and French. In some cases reliance has been on summaries in English (where available) rather than original sources (the legislation/regulations), given the lack of funds for specialist translation.

Task 11.2. Identify the issues for governments/regulatory authorities and the shale gas industry that need to be

addressed to optimise community acceptance. (P1, UCL, M25-30) This task was ‘to be achieved through stakeholder engagement activities, such as interviews, surveys and workshops’ and building ‘on the experience gained through collaborative research activities being conducted with the Centre for Social Responsibility in Mining at the University of Queensland’. This work resulted in the following issues of concern being identified: - Trust in the regulator and industry (lack of transparency) - Sufficiency of participation of/engagement with citizens in decision making - Impacts on water resources

Deliverable 1.2


- Impacts on the natural environment in a carbon-constrained world - Impacts on existing land uses - The lack of an integrated approach to development (prime food production areas not protected) - Waste water management - Impacts on citizens’ health - Distribution of economic benefits - Perception of pursuit by state of economic growth at expense of environment This is a preliminary list as the task is not yet completed.

Task 11.3. Identify the nature and content of a regulatory framework for the successful exploitation of shale gas,

including factors to enable a choice to be made between whether integration (with other legislation) or a ‘stand-alone’ approach is desirable. (P1, UCL, M31-36) Work has not yet been undertaken on the Task.


The membership of the WP11 team has changed. Professor Stefaan Simons, the original intellectual leader of the WP as director of the UCL International Energy Policy Institute (IEPI), departed UCL prior to the commencement of the Project. Professor Paul Stevens is no longer a member of IEPI and is unavailable. Dr Cristelle Maurin, who was to undertake the work under the supervision of Professor Christine Trenorden, departed UCL effectively in June 2016. This has resulted in no person being available to undertake the work since that time. Steps have been taken to engage a post-doctoral researcher to undertake the work under Prof Trenorden’s supervision.

WP 12 – Dissemination Lead beneficiary – NCSR"D"

Work Package 12 Dissemination


DoA 4.00 4.00 2.00 1.38 12.00 6.00 4.00 2.00 1.00 0.00 0.00 36.38

M1-M6 0.11 0.00 0.00 0.00 0.50 0.50 0.00 0.50 0.00 0.00 0.00 1.61

M7-M12 0.11 0.00 0.00 0.00 0.50 0.00 0.00 0.30 0.00 0.00 0.00 0.91

TOTAL 0.21 0.00 0.00 0.00 1.00 0.50 0.00 0.80 0.00 2.51

% used 5.3% 0.0% 0.0% 0.0% 8.3% 8.3% 0.0% 40.0% 0.0% 6.9%

Main Activities

Participation in international conferences Scientific publications Promotion of ShaleXenvironmenT project Website creation and maintenance Organisation of outreach events disseminating the project’s research and results

See details regarding the Publications and Dissemination activities in the Section 3.

Deliverable 1.2


3. Dissemination & Publications

Dissemination activities

Date Place Title of event Title of the presentation Outreach

2/09/2015 Potsdam, Germany IASS "Methane Emissions from the Shale Gas Industry"

ShaleXenvironmenT project presentation TBD

06/10/2015 Prague, Czech Republic

"National Information Day – Horizon 2020, Energy Challenge"

ShaleXenvironmenT project presentation TBD

27/10/2015 –

28/10/2015

Brussels, Belgium GOTIA Technical Workshop "A Holistic Approach to Assess the Environmental Impact of Shale Gas in Europe"

TBD

23/02/2016 Brussels, Belgium 1st Annual Conference UH Network "A Holistic Approach to Assess the Environmental Impact of Shale Gas in Europe"

TBD

22/05/2016 –

26/05/2016

Porto, Portugal 14th PPEPPD 2016 "Organic Matter of Shale: Insight from Atomistic Simulations" 300 participants

02/05/2016 –

04/05/2016

Catania, Sicily, Italy 5th EAGE workshop "Strength, Brittleness and Creep Behaviour of Shale at Elevated Pressure and Temperature Conditions"

80 participants

07/07/2016 London, United Kingdom

- Visual Summary "A Holistic Approach to Assess the Environmental Impact of Shale Gas in Europe" (Annex 1)

-

14/06/2016 –

26/07/2016

University College London, United Kingdom

7-week Summer Challenge 2016 Year 12 students from nonselective state schools successfully attended the challenge (Annex 2)

10 participants

10/07/2016 –

19/07/2016

University of Lancaster, United Kingdom

CCP5 Summer School 2016 Methods in Molecular Simulations

Abstract: Molecular simulation of shale gas adsorption onto overmature type II model kerogen with control microporosity (L. Michalec, M. Lisal) Abstract: Dissolution of NaCl crystal in clay pores: insight from molecular dynamics (M. Svoboda, M. Lisal)

90 participants

20/07/2016 London, United Kingdom

- ShaleXenvironmenT Final Project Factsheet release -

Deliverable 1.2


4/09/2016 –

09/09/2016

Rome, Italy 30th Conference of the European Colloid and interface Society

Presentation of 3 posters:

▪ TATINI, Duccio: "Physico-chemical properties of green hydraulic fracturing fluids for European shale gas extraction".

▪ SARRI, Filippo: "Rheology of green gelling agents in fracturing fluid formulations for shale gas exploitation".

▪ LO NOSTRO, Pierandrea: "Innovative systems for the control of viscosity of polymer dispersions for shale gas applications".

800 participants

05/09/2016 –

09/09/2016

Kutná Hora, Czech Republic

6th International Workshop on Layered Materials

"The Influence of 3D Zeolite Parameters on their Conversion into 2D Lamellar Zeolite" (Eliášová P., Shamzhy M., Kadam S., Čejka J.)

TBD

11/09/2016 –

16/09/2016

Chania, Crete, Greece Joint European Molecular Liquids Group / Japanese Molecular Liquids Group Annual Meeting 2016

"A Computational Study of Gases Confined in Kerogen" 90 participants

https://shalexenvironment.files.wordpress.com/2016/10/posterecis_tatini.pdf



https://shalexenvironment.files.wordpress.com/2016/10/posterecis_sarri.pdf

https://shalexenvironment.files.wordpress.com/2016/10/posterecis_sarri.pdf

https://shalexenvironment.files.wordpress.com/2016/10/posterecis_lonostro.pdf



Deliverable 1.2


Publications

Title of the publication Author Journal Year of publication

Relevant pages

DOI

Water and Methane in Shale Rocks: Flow Pattern Effects on Fluid Transport and Pore Structure.

HO Tuan A., STRIOLO Alberto.

AIChE Journal, 61 (9) 2015 2993 – 2999 10.1002/aic.14869

CO2−C4H10 Mixtures Simulated in Silica Slit Pores: Relation between Structure and Dynamics.

LE Thu, STRIOLO Alberto, COLE David R.

The Journal of Physical Chemistry, 119

2015 15274 –15284 10.1021/acs.jpcc.5b03160

What controls the mechanical properties of shale rocks? – Part I: Strength and Young’s modulus.

RYBACKI E., REINICKE A., MEIER T., MAKASI M., DRESEN G.

Journal of Petroleum Science and Engineering, 135

2015 702–722 10.1016/j.petrol.2015.10.028

What controls the mechanical properties of shale rocks? – Part II: Brittleness.

RYBACKI E., MEIER T., DRESEN G.

Journal of Petroleum Science and Engineering, 144

2016 39–58 10.1016/j.petrol.2016.02.022

Confined Water Determines Transport Properties of Guest Molecules in Narrow Pores.

PHAN Anh, COLE David R., WEIß R. Gregor, DZUBIELLA Joachim, STRIOLO Alberto.

ACS Nano, 10

2016 7646−7656 10.1021/acsnano.6b02942

Interfacial water studies and their relevance for the energy sector

STRIOLO Alberto Molecular Physics, 114:18

2016 2615-2626 10.1080/00268976.2016.1237685

Abstracts / manuscripts submitted

Title of the publication Author Comment

Simulation of Fluid Transport in Fractured Shales for Assessing the Environmental Impact of Shale Gas in Europe.

DINTER Simon, GRUEHSER Carina, BACKERS Tobias.

Abstract for ECCOMAS 2016

Multi-objective optimization of mechanical vapor recompression desalination driven by solar energy considering economic and environmental performance.

ONISHI Viviani C., RUIZ-FEMENIA Rubén, SALCEDO-DIAZ Raquel, CARRERO-PARRENO Alba, REYES-LABARTA Juan A., CABALLERO José A.

Abstract for ESCAPE27

Optimal shale gas flowback water desalination under uncertainty.

ONISHI Viviani C., RUIZ-FEMENIA Rubén, SALCEDO-DIAZ Raquel, CARRERO-PARRENO Alba, REYES-LABARTA Juan A., CABALLERO José A.

Abstract for ESCAPE27

Deliverable 1.2


Optimization under uncertainty: Multistage Direct Contact Membrane Distillation with heat integration for the treatment of Shale Gas Flowback Water.

CARRERO-PARRENO Alba, ONISHI Viviani C., RUIZ-FEMENIA Rubén, SALCEDO-DIAZ Raquel, CABALLERO José A., REYES-LABARTA Juan A.

Abstract for DESALINATION 2017

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

CARRERO-PARRENO Alba, ONISHI Viviani C., RUIZ-FEMENIA Rubén, SALCEDO-DIAZ Raquel, CABALLERO José A., REYES-LABARTA Juan A.

Abstract for ESCAPE 2017

ShaleXenvironmenT: A Multi-Disciplinary Effort to Assess the Environmental Implications for Shale Gas Exploration and Production in Europe.

STRIOLO Alberto, JONES Adrian. Abstract for 252nd ACS National Meeting

Physico-chemical properties of green hydraulic fracturing fluids for European shale gas extraction.

TATINI Duccio, SARRI Filippo, AMBROSI Moira, MALTONI Pierfrancesco, BAGLIONI Piero, LO NOSTRO Pierandrea.

Abstract for ECIS 2016

Rheology of green gelling agents in fracturing Fluid formulations for shale gas exploitation.

SARRI Filippo, TATINI Duccio, CARRETTI Emiliano, AMBROSI Moira, BAGLIONI Piero, LO NOSTRO Pierandrea.


Innovative systems for the control of viscosity of polymer dispersions for shale gas applications.

LO NOSTRO Pierandrea, SARRI Filippo, TATINI Duccio, AMBROSI Moira, CARRETTI Emiliano, BAGLIONI Piero.


Creep of Posidonia and Bowland shale at elevated pressures and temperatures.

HERRMANN Johannes, RYBACKI Erik, SONE Hiroki, DRESEN Georg.

Abstract for EGU 2017

Expansion of the ADOR strategy for the synthesis of new zeolites: The synthesis of IPC-12 from zeolite UOV.

KASNERYK Valeryia, SHAMZHY Mariya, OPANASENKO Maksym, MORRIS Samuel A., WHEATELY Paul S., RUSSEL Samantha E., MAYORAL Alvaro, TRACHTA Michal, CEJKA Jiři, MORRIS Russell E.

Manuscript

Desalination of shale gas flowback water: a rigorous design approach for zero-liquid discharge evaporation systems.

ONISHI Viviani C., CARRERO-PARRENO Alba, REYES-LABARTA Juan A.,FRAGA Eric S., CABALLERO José A.

Manuscript

Molecular Simulation of Shale Gas Adsorption onto Overmature Type II Model Kerogen with Control Microporosity.

MICHALEC Lukas, LISAL Martin. Manuscript

Transport of gases confined in kerogen: Diffusion paths, diffusion coefficients and permeability.

VASILEIADIS Manolis, PERISTERAS Loukas D., PAPAVASILEIOU Konstantinos D., ECONOMOU Ioannis G.

Abstract for ESAT 2017

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

FIGUEROA PILZ Fernando, DOWEY Patrick J., FAUCHILLE Anne-Laure, COURTOIS Loic, BAY Brian, MA Lin, TAYLOR Kevin G., MECKLENBURGH Julian Mecklenburgh, LEE Peter D.

Manuscript

A computational study of gases confined in kerogen. VASILEIADIS Manolis, PERISTERAS Loukas, ECONOMOU Ioannis G.

Abstract

Deliverable 1.2


4. Financial Analysis

During the 1st Year of the project, ShaleXenvironmenT consortium has spent nearly 18 % of the total allocated budget.

Compared to ShaleXenvironmenT’s maximum EU contribution grant amount – €2,999,201.25, the consortium has spent €534,789.74 (17.83%) in the first 12 months.

EU contribution requested at Month 12

18%

EU contribution remaining at Month 12

82%

EU contribution requested at Month 12vs EU contribution remaining

€ -

€ 500,000.00

€ 1,000,000.00

€ 1,500,000.00

€ 2,000,000.00

€ 2,500,000.00

€ 3,000,000.00

€ 3,500,000.00

Period 1 Period 2 Total

Difference between financial planning and actual claim

Planning Actual

Deliverable 1.2


More than half of the used budget was spent under Personnel costs (63.81%), 16.19% on Other direct costs and 20% on Indirect costs. No costs were incurred under Subcontracting, Financial support, or Special unit costs.

The graph below demonstrates the distributions of the spent budget per Work Packages.

WP13%

WP25% WP3

10%

WP419%

WP521%

WP611%

WP714%

WP815%

WP90%

WP100%

WP110%

WP122%

Staff effort per Work Package

63.81%

16.19%

20.00%

Claim by cost category: Period 1

(A)Personnel (B)Subcontracting (C)Financ. Support (D)Other Direct (E)Indirect (F) Special unit

Deliverable 1.2


5. Gender Monitoring

The ShaleXenvironmenT consortium has made an effort to maximise the gender equality. However, not all the Beneficiaries could engage equal number of male and female staff, due to the fact that the core subject of the ShaleXenvironmenT project is traditionally male-dominated. Nonetheless, the graph and the table below demonstrate that 38 % of staff are female and 62 % of staff are male, which is a good indicator that more women are getting involved in unconventional activities.

Beneficiary UCL CSG ARMINES UoM NCSRD UA HIPC ICPF GFZ Geomecon Halliburton TOTAL

Female staff (including third parties)

5 3 1 3 1 3 2 1 0 2 1 22

Male staff (including third parties)

8 3 2 2 3 3 1 4 6 1 3 36

0

1

2

3

4

5

6

7

8

GENDER DISTRIBUTION PER PARTNER

Female staff (including third parties) Male staff (including third parties)

Deliverable 1.2


6. Future steps for the next 6 months

WP Future activities/plans

WP1 Prepare and submit the 1st Periodic Report Prepare the next Annual meeting (hosted by CSGI in Florence, Italy)

WP3 Perform further creep tests on Upper Bowland shale. Develop/modify a system to measure fracture permeability and proppant

embedment under non-isostatic conditions. Comparing microCT, nanoCT and pore size distributions of key microfacies of Bowland shale Preliminary tests of hydraulic fracturing the laboratory on various shale

WP4 Study the low pressure region of the adsorption isotherms of butane

Study diffusion of alkanes in kerogen Study the adsorption and diffusion of alkane mixtures and other compoudns such as water (present in fracking fluids) or CO2

(potential CO2 sequestration is reported in literature).

WP5 Next experiments: - Evaluation of green alternatives for cross-linkers and additives - Effect of different salts and temperature on fluids behaviour - Study of PolyElectrolites Complexes (PEC) as promising emulsion stabilizers in fracfluid formulations

Application of a ddp to enhance/reduce the viscosity of the formulations in situ - Optimization of the experimental conditions - Evaluation of the effect of surfactants on the electric responsiveness

Study on samples with lower KCl concentrations Addition of different salts to test the salt resistance of the formulation Application of different stimuli to induce a reversible viscosity modification Small Angle X-Ray Scattering (SAXS) experiments to investigate the structure of entangled micelles

WP8 Finishing models based on membrane distillation

Develop of models for desalination with uncertainty. Integration of renewable energies in the desalination of flowback and produced water. Management and logistics of the flowback and produced water. Superstructure development.

Deliverable 1.2


ANNEX 1

ShaleXenvironmenT Visual Summary

Deliverable 1.2


ANNEX 2

Summer Challenge 1: 14 June 14 – 26 July 2016 10 pre-University students attended lectures, visited labs and discussed with faculty in UCL.

ABCIT internal progress reports template – Part A: Finances · 2.01.2017 · This Project has received funding from the European Union’s Horizon 2020 research and innovation

Documents