In this deliverable the MOF4AIR partners focus to enlist the potential MOF candidates for energy efficient carbon capture at the industrial level.

For D1.1, a total of 24 Metal-Organic Frameworks (MOFs) were identified from the existing literature. All these MOFs were selected based on their performances including CO₂ capacity, CO₂/N₂ selectivity and heat of adsorption reported in the literature so far. For the selection of a particular MOF, MOF4AIR partners always keep check on the stability of that particular MOF in presence of several contaminants (such as H₂S, SO₂ and water which are normally present in the flue gas) to ensure an energy efficient carbon capture process for the industrial level. Possibility of easy scale-up of the MOFs is also one of the important criteria behind their selection as a potential candidate.

This deliverable will provide the process flow diagram of the demonstration plant along with specifications of the plant’s main components.

In this task, basic Process Flow Diagram (PFD) of the demonstration unit and the specifications of the main components ensuring the required testing flexibility will be defined based on the characteristics of the different demonstration site. The deliverable of this task will be a report which would be the basis for the Piping and Instrumentation Diagram (P&ID) and the execution drawings to be subcontracted to the Engineering Procurement Construction (EPC) company.

This deliverable will provide the techno-economic targets to the developers of the sorption process.

The aim of this deliverable is to provide guidelines and techno-economic targets for the sorption process. These techno-economic targets would help in providing the maximum capital cost and maximum operating cost that the CO₂ separation process can have to be economically competitive with the benchmark technology for each industrial application.

In this deliverable we will be focusing on the production of the MOF candidates identified in D1.1 in 10 g scale with full details of characterizations including preliminary adsorption studies.

For D2.1, we will be providing information on the production process of MOFs (preselected in WP1) at 10 g scale. The MOFs will be synthesized via reflux (or thermomechanical) technique using a green approach. The solids will be fully characterized by several technique such as Powder Diffraction, Thermo Gravimetric Analysis, IR and NMR spectroscopy. Following this we will demonstrate the porosity (BET surface area) of the solid via N₂) adsorption at 77K. Finally, we will be demonstrating the CO₂ adsorption properties (capacity, enthalpy of adsorption) of these solids.

In this deliverable we will be focusing on the evaluation of the stability of the MOF candidates identified in WP1 submitted to operation conditions.The samples prepared in Task 2.1 were fully characterized by a large panel of techniques allowing a first level control of the quality of the synthesized MOFs, particularly in terms of purity and activation. The second level of validation of the selection of MOFs (and the core of Task 2.2) has been the control of their stability in the presence of contaminants, in complement with Task 2.3 related to the investigation of CO2 capture performances in terms of working capacity, selectivity, as well as the influence of contaminants on the MOFs performances (uptake, regeneration…). This has permitted to select the best MOFs for CO2 capture with the help of quantum-based molecular simulations (Task 2.4) among the list of potential candidates for shaping and test at large scale (WP3).

MOFs identified in step of adsorption evaluation (deliverable D2.2) will be subjected to CO₂/N₂ co-adsorption/regeneration experiments without and in presence of water using VPSA and MBTSA and breakthrough measurements. The influence of water on the MOF performances will be than evaluated (uptake, selectivity, regeneration and thermodynamics).

The selected MOFs (D2.2) under operating conditions defined (D1.2) will be evaluated. This will be performed by using gravimetric/manometric measurements under dry (3-15% CO₂ in N₂) and under humid conditions (5% H₂O, 3/15% CO₂ in N₂), temperature and pressure relevant (1 atm, 40°C and 80°C) to the adsorption processes and by breakthrough curve measurement under dry conditions. For each selected MOF, these measurements will include the estimation of the working capacity (adsorption isotherms), the selectivity, the performance stability (adsorption cycles), the impact of water presence, the regeneration ability (desorption tests at different temperatures). The impact of water presence will be specifically studied to evaluate effect on adsorption performances linked to the nature/structure of the MOF. This experimental effort will be coupled stepwise with Grand Canonical Monte Carlo (GCMC) to gain more insight into the co-adsorption at the thermodynamics level and to confirm the experimental trend.

After a rational analysis of the CO2 adsorption performances on MOFs selected in Task 1.1 and their stability against contaminants (water vapor and acids gases) , 21 materials have been characterized in-depth in Task 2.2 and Task 2.3 by a subtle combination of experimental and computational approaches. The prime information gathered through Task 2.2 (stability) and Task 2.3 (adsorption performances) allowed to develop an identity card of the different tested MOFs and to select the 5 best MOFs that would be further scaled-up and shaped in WP3 prior to their implementation in Vacuum Pressure Swing Adsorption (VPSA) process or Thermal Swing Adsorption (TSA) for CO2 Capture in flue gases.   

In this deliverable we will be providing the best method for shaping of each selected MOFs in WP2 at 100-200 g scale.

For D3.1, we will be providing an optimized protocol for the large scale (~ 500 g) synthesis of the potential MOFs in powder form using a greener approach. In the second step, with the help of other partners we will be demonstrating the best protocol for shaping each solid. All the shaped materials will be fully characterized and tested for mechanical stability (crushing tests) as well of specific surface area (N₂ adsorption) and porosity (Hg-intrusion) of the shaped bodies giving optimal volumetric CO₂ capacity and CO₂/N₂ selectivity of the chosen MOF. The shaping activity should aim at different body sizes, depending on the nature of the testing sorption pilot. The optimization of the shaping methods will be performed at SINTEF and CNRS-Paris, at the 10 g scale. KRICT will assist both research centres to establish the best shaping route. The most promising shaping methods will then be used to produce shaped particles at 100-200 g scale.

Quality checking of scaled-up and shaped samples by structural characterization and adsorption performances evaluation.

The quality of the scaled up and shaped samples will be first checked by performing a series of characterization experiments: N₂ porosimetry, mercury intrusion, x-ray powder diffraction thermal analysis, scanning electron microscopy coupled with EDX analysis and infra-red or Raman spectroscopy. Mechanical stability will be tested by crushing and attrition tests. Single component adsorption equilibrium of CO₂, N₂ and H₂O will be studied on the shaped materials using volumetric/manometric or gravimetric techniques. Breakthrough curve experiments will be carried out to study competing adsorption, mass transfer parameters and to measure the kinetic constants for the adsorption of the different components. Heat capacity and thermal conductivity of shaped MOFs will be also determined.

Further tests to study the stability of the MOFs in the presence of SO₂ and NO_x will be performed to make sure that the shaping procedure and binder has not affected the MOF’s stability with respect to contaminants.

A real flue gas contains CO2, N2, moisture and other components like SOX and NOX. These individual components affect the adsorption of the other ones. Through molecular simulations we study the co-adsorption of CO2/N2 and CO2/N2/H2O on different MOFs

A successful CO₂ capture process must not only be energetically attractive but also economically viable. This deliverable aims at integrating the CO2 capture process to an actual emission source for example cement or refinery and defining the key performance indicators that affect the cost and energy of the cyclic adsorption process.

For deliverable 4.2, a good adsorption process model based on fundamental mass and energy balance concept is needed. Here we simulate cyclic adsorption processes (Vacuum pressure swing adsorption VPSA and Moving bed temperature swing adsorption MBTSA) using computer programs such as MATLAB and ASPEN simulator. We then screen sorbents based on certain performance characteristics such as purity of the CO2 product, recovery and energy consumption and select the best MOFs for process integration as well as for demonstration in WP5 and WP6.

A limited number of MOFs in shaped form at the 1-3 kg scale will be manufactured for the pilot reactors (TRL5). Physical characterisation of the upscaled MOFs in shaped form will also be supplied. 

A maximum of four shaped MOF adsorbents synthesised and tested in WP2 and WP3 will be upscaled and shaped to 1-3 kg scale to conduct VPSA and MBTSA testing at TRL5.

Advanced physical characterisation of the upscaled MOFs will be carried out and reported including Powder X-Ray diffraction, nitrogen porosimetry, CO₂, N₂ sorption isotherms, particle density and crushing/attrition tests out to ensure the quality the materials produced.

A vacuum swing adsorption system housed at UMONS will be used to test at least 2 shaped MOFs while SINTEF will test the moving bed temperature swing process (MBTSA) with at least one shaped MOF. The focus would to be maximize the productivity of the processes while identifying optimum regeneration and gas recycling conditions.

Download the D5.2 here.

The results from testing will provide inputs for real scale demonstration at TRL 6. Further, the mechanical stability of the MOFs with respect to repeated heating and cooling and pressurization and depressurization in the VPSA and MBTSA cycles will provide inputs to the quality of shaped materials.

Upscaled synthesis of a shaped MOF to the 20-50 kg scale for testing in demonstration units. Physical characterisation of the upscaled MOFs in shaped form will also be supplied.

Materials selected from WP5 will be upscaled shaped to 20-50 kg scale for testing at each demonstration site. Advanced physical characterisation of the upscaled MOFs will be carried out and reported including Powder X-Ray diffraction, nitrogen porosimetry, CO₂, N₂ sorption isotherms, particle density and crushing/attrition tests out to ensure the quality the materials produced.

The deliverable 6.2 is the commissioning report of the 3 demonstration units. The report will include a description of the 3 pilot units as they may be different in terms of configuration/design.

The deliverable D6.2 is the commissioning report of the demonstration unit and is related to Task 6.2. The unit has to be tested and validated prior its integration on the 3 demonstration sites. The report will focus first on safety requirements for such a unit: leak test, safety barriers checking… Then, calibration and tuning of control loops will be addressed in order to use the unit on 24/7 operation. Specific configurations for each flue gas/site will be reported. The commissioning will be detailed for each pilot as they may be different to test several design and/or configuration.
KPI: successful leak test (under pressure and vacuum); operation of safety barrier approved; site specific control loops validation

The CO₂ capture performance of the developed and upscaled MOF-based adsorbents will be tested at three different demonstration sites by using flue gas streams in industrial environment.

The report will include the results related to the validation and demonstration of a fine-tuned MOF-based capture system in real environment (TRL6) at three different demonstration sites, namely TCM with flue gases from Combined Heat and Power plant and Residue Fluid Catalytic Cracker, TUPRAS with post-combustion furnace flue gas from refinery and SOLOMAT with flue gas from waste incinerator. Demo scale operations will be conducted for a duration of 6-months at each demonstration site. The effect of operating and process conditions for different temperature, pressure, flow rate of the flue gas, amount of MOF, composition of the flue gas stream and impurities will be the investigated parameters. Online specific analyzers and gas chromatograph will be used to semi-continuously monitor the inlet and outlet gas compositions.

The deliverable 6.4 summarizes the performance of the pilot units tested on 3 industrial sites. A list of KPI will be developed to assess MOF technology with other CO₂ capture technologies

The deliverable D6.4 addresses demonstration unit performance for CO₂ capture and is related to Task 6.4. Results achieved on the 3 demonstration sites will be compared. KPI used will be the CO₂ capture rate, the CO₂ product purity, the energy required (GJ/tCO₂), the pressure drop across the adsorption bed, the cycle time and the mechanical and thermal stabilities of MOF. This list is not exhaustive. Results will be used as baseline for solid sorbent capture process. Performance will also be compared to other capture technologies. One of them is the amine based capture process (MEA) which is the most mature technology.

Report on regulatory conditions in participating countries and on EU level, concerning capture, transport and storage of CO₂. Proposal of recommendations on regulation focusing on the diffusion of the technology.

Α report on the legislative and regulatory conditions in all participating countries, as well as on an EU level will be prepared. This report will include the barriers hindering the diffusion of capture, transport and storage systems of CO₂. The regulatory and legislative principles and differences will be identified within the 8 participating countries, extracting common patterns in the targeted countries and defining the best approaches for regulation in a common framework. Regulations related to safety issues will also be included. Based on the legislative and regulatory assessment, a set of recommendations will be proposed. These recommendations will be made in the context of the current regulations and will be presented to industries, policy makers and relevant public authorities.

Download the report on regulatory framework and recommendations here.

Techno-economic assessments (TEA) will be performed on the technologies/methods under investigation and benchmarked against a chemical absorbent (MEA or similar) based capture plant

Techno-economic assessments (TEA) will be performed on the technologies/methods under investigation. First, a generic cost estimate is developed based on the experimental and modelling results. As the project develops, key technical performance indicators are identified and used to optimise the generic estimate and to provide input to the site-specific cases. Finally, the optimised generic estimate will be benchmarked against a chemical absorbent (MEA) based capture plant.

In this deliverable, the environmental impacts of the technologies/methods under investigation will be examined. The impacts will be provided by analysing all inputs (resource and energy consumption) and outputs (air emissions and wastes) of the raw material extraction, manufacturing and operation phases. The analysis will include the climate change potential in terms of CO₂ equivalents, the primary energy, the acidification and the eutrophication potential. The outcome will be an environmental profile to understand the life cycle phases, the materials and processes with a higher contribution to environmental impact.

Report on social survey involving local communities and qualitative study focusing on government representatives and project developers. A stakeholder engagement strategy for planned activities including public engagement scenarios.

The deliverable will present the results of the social survey involving local communities taking into account the factors that can influence social acceptance. The quantitative survey, using questionnaires, will be performed in 8 different countries, involving at least 80 participants per different country. Furthermore, a qualitative study (interviews, focus groups) will be conducted focusing on government representatives and project developers. The study will deal with evaluation of cost, technical requirements and operational and safety impacts on the associated transportation infrastructure, storage or utilisation of CO₂. The deliverable will present a stakeholder engagement strategy for planned activities based on the results of the social studies, and taking into account various factors such as socioeconomic externalities, etc. This strategy will be used for the development of public engagement scenarios.

A replicability and transferability plan including identification of strategic partners, market analysis, technical and business activities, access to financing sources and business cases. An economic evaluation focusing on the cement sector adaptation.

A plan that will ensure replication and transferability of the project’s results to alternative contexts will be performed. The plan will include a) an analysis aiming to the identification of strategic partners necessary for replicability and transferability of the proposed solution to other contexts and activities; b) market analysis in the context of market launch in different settings; c) study of the access to financing sources, as well as the physical identification of sites for replicability and transferability; d) technical and business activities targeted at validating the possible extension of the proposed solution to other applications and e) preparation of business cases assisting the easy take up of the proposed solutions in sectors different from the one addressed in the project. In addition, the deliverable will include an economic evaluation specifically focusing on the cement sector adaptation, followed by a SWOT analysis based on this sectoral point of view.

Industrial Cluster Board will be constituted in order to foster the replicability and the transferability of the project’s solutions.

An industrial Cluster Board will be constituted in order to foster the replicability and the transferability of the project’s solutions. The board will be invited to meetings and dissemination events and will share their views and needs for carbon capture storage /utilization, they will specify their operating conditions and the technic and economic constraints they face in order to see what solutions can be brought by the consortium. They will have access to the tests results, and they will be invited to scientific workshops and exploitation meetings organized by MOF4AIR.
The board will be constituted during the first year of the project, significant actors from not only cement sector but also other energy intensive sectors in Europe will be invited. In Turkey, TCMA and TUPRAS, which are two of leading establishments of energy intensive industries, will make cooperation to foster the replicability and the transferability of the project’s solutions.

In this report, EQY will describe the communication and dissemination strategy for the project. This will include the different targets, means and channels, frequency of activities and responsibilities. This deliverable will be regularly updated.

The Dissemination and Communication Plan introduces the MOF4AIR project dissemination and communication strategy and its implementation plan to be used by the Consortium to ensure the high visibility, accessibility and promotion of the project and its results. This document is a reference framework for planning and evaluating the impact of communication and dissemination activities and will be updated and adjusted as the project progresses. The ultimate success of the MOF4AIR project is strongly dependent on well-coordinated dissemination and exploitation activities so that it can continue after the end of the EU funding. The main purpose of this deliverable is to ensure that the project research and outcomes are widely disseminated to the appropriate target audiences, at appropriate times along the project, via appropriate methods.

Download the Dissemination and Communication Plan here.

The website will be first produced in English and then translated to the different partner languages. It will give users a good overview on the project objectives, activities, and expected results.

This deliverable presents the MOF4AIR website developed by EQY for the communication, the dissemination and the exploitation of the project developments and results. This report details, for each section of the website, the design to be used and the content that will be integrated. The main content of the website will be accessible in English and partner’s languages, while some sections will be kept in English only. The website has been structured in a way that is informative, easy to navigate through and can target all different types of stakeholders. The deliverable presents the website structure and content end 2019. The website will evolve during the whole project and be completed regularly.

In this report, EQY will review the efficiency of the communication and dissemination activities. EQY will specify if each activity did meet its audience and target or not.

At the end of the project implementation, this report will allow to build a final overview of the communication and dissemination activities performed by the partners all along the project to promote MOF4AIR. The efficiency of the communication and dissemination tools and activities developed and put in place will be reviewed at the end of the project as for instance the website of the project, the social web strategy and activities, the E-mailing communication campaigns and newsletters, the articles and press release, the scientific publications, the participation to conferences and events, the workshops, webinars and/or seminars, etc.

The deliverable gathers: (i) the exploitation plan that describes the different ways to exploit the results; (ii) the research roadmap that describes the points identified during the project as points to keep researching on.

In order to benefit from the project’s results and thus keep developing the solutions to higher TRLs in the next years, an exploitation plan will be defined. Different ways will be explored to exploit the results along the value chain with inputs from all partners, and an exploitation workshop will be organized at the end of the project.

Associated with this exploitation plan a research roadmap based on identified points to keep researching on, notably in discussion with the Industrial Cluster Board built (see WP8) will be elaborated. These documents will be gathered in the deliverable D9.4.

The management tools will contribute to ensure day-to-day following-up of the project by allowing the control of budget allocation as well as progress and quality of the work performed by each partner.

This deliverable describes the tools developed to insure exchange and collaborative work during the project as well as good administrative and financial management. This Deliverable will include a detailed Project Management Plan with a Gantt chart and a Work Breakdown Structure (WBS). It should include a schedule per task, responsible partner related subtasks, related deliverables, and dependencies on other tasks. At least 2 revisions should be done in the course of the project (one just before the end of the first reporting period and one just before the end of the second reporting period).

This deliverable gathers the reports of meetings that will occur during the project

This deliverable gathers the reports of meetings that will occur during the project (Kick-Off Meeting, Progress, Meetings every 6 months and Final Meeting)

This deliverable describes the IPR management plan. It shows all actions developed during the project and the results: identification of Intellectual property and its protection

IPR rules will be stated in the Consortium agreement (CA) and in accordance to the provisions included in the Grant agreement. The CA, based on the DESCA model, will define the rules for the ownership of the results (foreground), access rights to the background and the results for the project implementation, research use and direct exploitation, protection of results, material transfer obligations.
The IPR & Exploitation Board (IPREB) will define confidentiality procedures to follow before disclosing any information about the project by other partners as well as rules regarding the announcement of planned publications or presentations. It will be also responsible for managing all intellectual property issues and take decisions concerning the conditions for dissemination of the foreground, the most suitable IP protection strategy, patent portfolio management.

Description of the data management policy: what data will be generated, how it will be exploited or made accessible, how it will be curated and preserved.

A project database will be built for the project and will be used during whole MOF4AIR lifespan. This database will be built at the very beginning of the project and will be filled in continuously. Concerning all the data gathered, the DMP (Data Management Plan) will be drafted and presented to partners that will all contribute to it because the data will come from each partner involved in the project. The DMP will detail the data management policy, in particular what data will be generated by the project, how it will be exploited or made accessible, and how it will be curated and preserved.

Description of the procedures and criteria that will be used to identify/recruit research participants, consent forms and information sheets.

This deliverable must gather:
– the procedures and criteria that will be used to identify/recruit research participants;
– templates of the informed consent forms and information sheets (in language and terms intelligible to the participants);
– the informed consent procedures that will be implemented for the participation of humans;
copies of opinions/approvals by ethics committees and/or competent authorities for the research with humans (if available).

Description the protection procedures of personal data.

Confirmation by the host institution that it has appointed a Data Protection Officer (DPO) and the contact details of the DPO to all data subjects involved in the research.
The deliverable will gather:
– a description of the technical and organisational measures that will be implemented to safeguard the rights and freedoms of the data subjects/research participants;
– a description of the security measures that will be implemented to prevent unauthorised access to personal data or the equipment used for processing;
– a description of the anonymysation/pseudonymisation techniques that will be implemented.

Ethics issues (e.g safety in pilot tests, personal data processing) in activities undertaken in non-EU countries.

In case activities undertaken in non-EU countries raise ethics issues (e.g safety in pilot tests, personal data processing), ensuring that the research conducted outside the EU is legal in at least one EU Member State.
Information demonstrating compliance with EU standards must be gathered as well as details on the materials which will be imported to/exported from the EU or copies of import/export authorisations, as required by national/EU legislation.

Gathering of authorizations copies for relevant facilities and processes and appropriate health and safety procedures.

Demonstrate that appropriate health and safety procedures conforming to relevant local/national guidelines/legislation are followed for staff involved in this project.
All partners will complete a workstation sheet for all staff members involved in the project with two parts: (i) Risk assessment for this function and (ii) Measures of prevention and protection for this function. The document will be provided to all partners by the coordinator during the kick off meeting. The workstation sheets of all partners will be gathered and will be regularly updated following the staff arriving or leaving the consortium.