Ongoing projects Ionic liquids for energy applications

Novel low-cost ionic liquid-based technology for CO2 separation

• To synthesis and characterize 5-10 ionic liquids (ILs) for CO2 separation.

• To provide the performance of 1-2 most promising ILs.

• To suggest a process for CO2 separation from flue gas in a typical power plant.

• To extend to other applications.

Funding: Swedish Energy Agency and LTU Partners: LTU Energy Engineering Duration: 2015-2019 Contact persons: Chunyan Ma, Xiaoyan Ji

Lab test

Modeling and Simulation

Analysis and Evaluation

Pilot test

Synthesis

Multi-scale modelling of interfacial properties for CO2 separation with deep

eutectic ionic liquid-based solvents • Combining atomistic and coarse-grained particle models with fluid-

theoretical methods and models with transferrable parameters inherited from particle simulations.

• Conducting advanced systematic and large-scale modelling to predict properties and molecular interactions at atomistic level.

• Coupling the fluid theoretical model into density gradient theory (DGT) to investigate fluid interfacial properties rapidly and systematically.

• Synthetizing deep eutectic IL-based solvents for CO2 separation and characterizing the performance to further verify model and method predictions.

Funding: Swedish Research Council Partners: LTU Energy Engineering, SU, UmU, Duration: 2017-2020 Contact persons: Xiaoyan Ji (LTU), Aatto Laaksonen (SU), Jyri-Pekke Mikkola (UmU)

CO2 separation from biogas and conversion to methanol in novel ionic liquids

• Screen ILs for CO2 separation from biogas based on COSMO-RS.

• Synthesize the screened potential ILs combined with characterization.

• Test performance of on CO2 absorption from biogas.

• Test the performance on CO2 separation and conversion to methanol in the screened ILs with electro-reduction method.

Funding: Kempe Partners: LTU Energy Engineering, UmU, IPE (China) Duration: 2019-2020 Contact persons: Xiaoyan Ji (LTU), Jyri-Pekke Mikkola (UmU)

Gaussian optimization

Optimized ILs structure

COSMO-RS

Henry’s constant σ-profile

Excess enthalpy

ILs+CO2

CO2 separation and conversion in novel ionic liquids

Funding: Carl Tryggers Stiftelse för Vetenskaplig Forskning Partners: LTU Energy Engineering, IPE (China) Duration: 2019-2021 Contact persons: Xiaoyan Ji (LTU), Yanrong Liu (LTU, IPE)

• Screen the potential CO2 capture ILs from the optimized candidates.

• Synthesize and characterize the screened potential ILs.

• Clarify the mechanism of interfacial mass transfer of CO2 in the ILs.

• Design and prepare the catalyst for CO2 conversion.

• Reduction of CO2 to target products

Developing neoteric ionic liquids for enhancing biomass gasification to produce purified bio-syngas

(NEOBIOSYN) • Design and synthesize novel ILs combined with functionalization and

cosolvent-addition. • Study the biomass preprocessing to provide less recalcitrant and more

suitable raw material for the gasification • Testing gasification performance with pretreated biomass and characterize

gasification performance at different operating conditions • Testing the absorption capacity/selectivity and absorption/desorption rate

for CO2 and H2S in the solvents as well as their stability. • Develop a theoretical model to describe the properties and reveal the

underlying mechanisms, providing theoretical guidelines for further synthesis of new solvents.

Funding: Bio4Energy strategic project Partners: LTU Energy Engineering, UmU, SP-ETC, SLU Duration: 2016-2019 Contact persons: Xiaoyan Ji (LTU), Jyri-Pekke Mikkola (UmU), Fredrik Weiland (SP-ETC), Torbjörn Lestander (SLU)

Thermodynamic study for aqueous ionic liquids Regulation mechanism of nanostructure

• Investigate the effect of water on the properties of ILs and their subsequent application as well as the underlying mechanism.

Funding: Chinese national science foundation for international cooperation Partners: LTU Energy Engineering, Nanjing Tech University (NTU) Duration: 2018-2021 Contact persons: Xiaoyan Ji (LTU), Xiaohua Lu (LTU, NTU)

Model development for complex fluid with complex surface

Funding: Chinese national science foundation Partners: Nanjing Tech University (NTU), LTU Energy Engineering as cooperation partner Duration: 2019-2023 Contact persons: Xiaoyan Ji (LTU), Xiaohua Lu (LTU, NTU)

Developing novel heat exchanger for biogas industry

• New heat exchanger design for slurry in biogas plant • CFD (computational fluid dynamics ) + Lab- & pilot-testing.

Funding: Swedish Energy Agency Partners: LTU Energy Engineering, Nordic gas solutions and Multcon Multi Consulting, Nanjing Tech University Duration: 2018-2021 Contact persons: Xiaoyan Ji (LTU)

Twisted hexagonal tube, THT 4 8 12 16 20

0

200

400

600

800

Exp results of THT, TS=9.1% Exp results of STHE, TS=7.5%

K(W

·m-2·K

-1)

Qs(m3/h)

Shell-and-tube heat exchanger, STHE

CO2 absorption and utilization

• Ionic liquid screening and designing, • Performance testing of CO2 conversion with electro-reduction method, • Technology evaluation and comparison including H2S removal, • Techno-economic analysis and greenhouse gas performance.

Funding: Swedish Energy Agency Partners: LTU Energy Engineering, KTH, IPE (China) Duration: 2019-2022 Contact persons: Xiaoyan Ji (LTU), Joakim Lundgren (LTU), Klas Engvall (KTH)

① ②

③ Techno-economic analysis

Biomass

O2

gas in

Methanol

Hydrated Ionic Liquids and Their Mixtures: From Chemical Storage and CO2MICALS to Processing of Biomacromolecules

• Develop new hydrated ionic liquids, their mixtures (MIXILs), thus IL-brine systems; • Characterize properties to provide understanding on the underlying mechanisms

and modeling properties for design of MIXILs as an ‘enabler’ technology in CO2 capture;

• Utilize hydrated IL and MIXIL systems in a) dissolution of biomacromolecules; b) CO2 capture and conversion and c) chemical energy storage by facilitating the synthesis of CO2 derived chemicals and fuels;

• Synthesize (industrially) important CO2-derived chemicals and biomacromolecule derivatives via processing of cellulosic biomass and study of protein/enzyme systems in hydrated IL environments.

Funding: Swedish Research Council Partners: UmU, LTU Energy Engineering Duration: 2017-2020 Contact persons: Jyri-Pekke Mikkola (UmU), Xiaoyan Ji (LTU),