Enabling 10 mol/kg swing capacity via heat integrated sub ... Library/Research/Coal/carbon...

Enabling 10 mol/kg swing capacity via heat

integrated sub-ambient pressure swing adsorption

Ryan P. Lively

Principal Investigator

Yoshiaki Kawajiri, Matthew J. Realff, David S. Sholl, Krista S. Walton

Co-Principal Investigators

Georgia Institute of Technology

School of Chemical & Biomolecular Engineering

Atlanta, GA 30332

Project Review Meeting

December 20th, 2017

Chemical and

Biomolecular Engineering

Chemical & Biomolecular Engineering at Georgia Tech

ATLANTA, GEORGIA

• Economy is 6th in United States, 15th in world

• Airport is world’s busiest

• Largest college of

engineering in the United

States

• Only U.S. institution with

all graduate engineering

programs in top 10

• #2 in R&D spending in

engineering (NSF data, 2015)

• #10 engineering school in

the world, 4th in the U.S.

• 1000+

undergraduate

students

• ~200 Ph.D. students

• ~50 postdocs

• 38 faculty + 3

instructors

• #1 in Federal R&D

spending in 2015

GEORGIA TECH CHBE AT GEORGIA

TECH

Inmondo Tech, Inc.www.inmondotech.com

Focused on scale-up and supply of metal-

organic frameworks for adsorption applications

Key Capabilities:

• Production of selected MOFs at

10 g – 1 kg scales

• Delivery of MOFs as fine

powders and as engineered

forms

• Custom synthesis of MOFs

• Partnering with customers on

application-oriented prototyping

and testing

3

http://www.inmondotech.com

Key Idea:

Combine:

(i) Sub-ambient gas processing and

energy recovery with

(ii) ultra-porous metal-organic

frameworks and

(iii) space- and energy-efficient fiber

sorbent contactors

to yield a game-changing process

strategy 4

Project scope—Re-thinking general assumptions about

post-combustion CO2 capture

• Rapid pressure swing adsorption is

more straightforward than rapid

temperature swing adsorption (the

former has been commercialized)

• Immense pore volume and surface

area of MOFs are advantageous at

sub-ambient conditions and moderate

CO2 partial pressures (~1-2 bar)

• Sub-ambient conditions increase

adsorption selectivity and working

capacity—even without adsorbent

structural changes

• Weaknesses of MOFs addressed

through contactor (hollow fiber

sorbents) and through process

strategy

RCPSA

Sub-ambient membrane system

5

Background: Metal-organic frameworks—State-of-the-art

[1] TM McDonald, JR Long et al., Nature, 2015, 519, 303-308

[2] JM Simmons, T Yildirim et al., Energ. Env. Sci., 2011, 4(6), 2177-2185

6

Mmen-Co2(dobpdc)

Pressure (torr)

25°C

75°C

7

A wide variety of MOFs can hit >10 mol/kg swing capacities at sub-ambient conditions

[1] J Park, RP Lively, DS Sholl, J. Mater. Chem. A. 2017, 5, 12258-12265

8



9



Background: Hollow fiber sorbents, a mass producible structured sorbent

inspired by hollow fiber membrane spinning

Ideal temperature swing adsorption

1000 µm

[1] RP Lively, WJ Koros et al., Ind. Eng. Chem. Res., 2009, 48(15), 7314-7324

10

Bundle of 40 fibers in a

1.5’ module at GT

Background: Fiber sorbents for PSA applications

2 µm

H2/CO2 separations

11

[1] RP Lively, WJ Koros et al., Int. J. Hydrogen Energ., 2012, 37(20), 15227-15240

Process overview

Advantages:

• Low dew point flue gas

• Flue gas compression intercooling pairs well with boiler feed water preheating

• CO2 liquefaction and pumping can be used instead of CO2 compression

• sub-ambient HEX and CO2 liquefaction are commercially demonstrated

12

Ads

13

Swing capacity performance of UiO-66 derivativesat sub-ambient conditions [Task 8.0-8.1]

• UiO-66 derivatives with 3 different

complex functionalized ligands

optimized via DFT

• Sorption isotherm validation and swing capacity estimation in UiO-66 predicted via

GCMC simulations

0.0 0.5 1.0 1.5 2.0 2.5 3.00

1

2

3

4

5

6

CO

2 U

pta

ke (

mol/kg)

Pressure (bar)

Abid et al. (273 K)

Simulation (273 K)

Cmarik et al. (298 K)

Simulation (298 K)

Wiersum et al. (303 K)

Simulation (303 K)


14


• UiO-66 derivatives with 3 different

complex functionalized ligands

optimized via DFT

• Sorption isotherm validation and swing capacity estimation in UiO-66 predicted via

GCMC simulations

0.0 0.5 1.0 1.5 2.0 2.5 3.00

1

2

3

4

5

6

CO

2 U

pta

ke (

mol/kg)

Pressure (bar)

Abid et al. (273 K)

Simulation (273 K)

Cmarik et al. (298 K)

Simulation (298 K)

Wiersum et al. (303 K)

Simulation (303 K)


15


• Sorption isotherms and swing capacity estimation in UiO-66 derivatives predicted via

GCMC simulations (rigid framework approximation)

• Heat of adsorption indicates sorbate-sorbent affinity and pore volume refers to

packing effect of sorbates during physisorption

• Increase in NCO2des (increase in affinity at Pdes region), but decrease in NCO2

ads

(pore volume affecting adsorption at Pads region)

16


• Sorption isotherms and swing capacity estimation in UiO-66 derivatives predicted via

GCMC simulations (rigid framework approximation)

• Heat of adsorption indicates sorbate-sorbent affinity and pore volume refers to

packing effect of sorbates during physisorption

• Increase in NCO2des (increase in affinity at Pdes region), but decrease in NCO2

ads

(pore volume affecting adsorption at Pads region)

MIL-101(Cr) emerged as a promising candidate [Task 8.0-8.1]17

MIL-101(Cr) satisfies the material

selection criteria enabling large PSA

swing capacity:

VP = 1.84 cm3/g & Qadsavg ~ 23 kJ/mol


0.0 0.5 1.0 1.5 2.0 2.50

5

10

15

20

25

30

CO

2 U

pta

ke (

mol/kg)

Pressure (bar)

223 K

233 K

243 K

253 K

263 K

273 K

0.0 0.2 0.4 0.6 0.8 1.00

2

4

6

8

10

12 223 K

233 K

243 K

253 K

263 K

273 K

CO

2 U

pta

ke (

mol/kg)

Pressure (bar)

Experiment

vs.

GCMC

GCMC

MIL-101(Cr) emerged as a promising candidate [Task 8.0-8.1]18

220 230 240 250 260 270 280

CO2/N

2 0.14/0.86 mixture

Temperature (K)

PCO2,ads

= 2.0 bar

PCO2,des

= 0.1 bar

PCO2,des

= 0.2 bar

PCO2,des

= 0.3 bar

PCO2,des

= 0.5 bar

PCO2,des

= 1.0 bar

220 230 240 250 260 270 2800

5

10

15

20

CO2 single component

N

CO

2 (

mol/kg)

Temperature (K)

Pads = 2.0 bar

Pdes = 0.1 bar

Pdes = 0.2 bar

Pdes = 0.3 bar

Pdes = 0.5 bar

Pdes = 1.0 bar

Low cost ligands (benzene dicarboxylate)

Relatively low cost metal centers (chromium nitrate)

Scale-up is straight forward (70% yield on large batches)

Water stable

[1] L Hamon, GD Weireld et al., J. Am. Chem. Soc. 2009, 131, 8775-8777

MIL-101(Cr) is sufficiently stable to acid gas conditions that might be

encountered in our process arrangement [Task 8.0 – Task 8.1]

19

*Acid stability has also been demonstrated with UiO-66



20




21


22

MIL-101(Cr) Fiber Sorbent Production [Task 7.0]

500 μm

Vitrification

Met

a-st

able

Meta-stable

Spinodal Boundary

Critical point

Binodal Line

1-phase

2-phase

Solvent Non-solvent

Polymer

Dope Composition

Quench

Vitrification

Met

a-st

able

Meta-stable

Spinodal Boundary

Critical point

Binodal Line

1-phase

2-phase

Solvent Non-solvent

Polymer

Dope Composition

Quench

23


0 10 20 30 40 50 60

Inte

nsi

ty

Angle (2)

75 wt% Fiber

Powder

Simulated

500 μm 20 μm

3 μm

24


0 10 20 30 40 50 60

Inte

nsi

ty

Angle (2)

75 wt% Fiber

Powder

Simulated

500 μm 20 μm

3 μm

• MIL-101(Cr) has successfully

been incorporated into Cellulose

Acetate fibers

25


500 μm 20 μm

• MIL-101(Cr) has successfully

been incorporated into Cellulose

Acetate fibers

Task 7.0: Generate >250 g/quarter of UiO-66, sub-ambient sorption isotherms, and

simple fiber sorbents—Complete

Task 8.0: Moisture and acid gas stability—Complete

30

Activities of process modeling, simulation & optimization – BP2

#

Task 12▪ Simulation of VPSA using gPROMS

• testing of several types of boundary conditions for each VPSA cycle step

▪ Development of detailed mathematical model for fiber composites

• parameterized to account for arbitrary fiber blends, i.e., weight-fraction values of fiber constituents

• dynamic, spatially-distributed (1D) model

• detailed fiber composite adsorbents applied in full-order VPSA modeling

Task 12

▪ Application of short-cut method to estimate suitable PCM amount in fiber blend

• algebraic model estimating adiabatic temperature rise

• parameterized to account for competitive adsorption equilibria, PCM latent heat and arbitrary fiber blend

Task 12

▪ Model modifications to account for heat-losses encountered in experiments Task 13

• inclusion of energy balance of module wall and simulate non-adiabatic processes

▪ Application of conservative discretizations to solve fiber composite adsorber models

• full-order, dimensionless, completely parameterized; applicable to any adsorption equilibria and fiber blend desired

▪ Application of short-cut methods for preliminary evaluation of adsorbent (MOF) process performance

• Preliminary testing with small selection of 5 adsorbents: UiO-66, MIL-101(Cr), Mg-MOF-74, zeolite 13X, activated carbon

31

Developed 1D monolithic fiber composite adsorber model

* J. Happel. AIChE Journal, 5(2): 174-177, 1959. DOI: 10.1002/aic.690050211

▪ momentum balance

• pressure-drop correlation applied for fibers*

✓ Suitable representation of adsorber dynamics using fiber blends containing PCM

▪ component & total mass balances

• lumped-kinetic model, competitive equilibria

Solution method

▪ system of coupled PDAEs solved numerically

• method Of Lines (MOL): spatial discretization ODE system

• periodic boundary conditions (BCs) enforced for VPSA cycle implementations

▪ spatially-distributed variables :

▪ energy balances

• adiabatic / non-adiabatic ( heat loss, wall )

• incorporates PCM phase-transition model

monolithic fiber composite: polymeric matrix + MOF + PCM

axial coordinate, z

flue gas flow

flue gas flow

Fiber adsorber schematic

Task 12

32

Adiabatic temperature rise calculations to estimate suitable fiber blends

✓ Simplified analysis about impact of fiber composition on adsorbent loading & fiber cost

▪ Result applying in-silico MIL-101(Cr) competitive equilibria (IAST)

Solution of coupled algebraic equations

• fiber energy balance

• adsorption equilibrium

• from initially known state obtain final state, i.e.,

temperature and loadings

MOF10%

polymer25%PCM

65%

?weight fractions

Task 12

33

Short-cut method to estimate adsorbent (MOF) VPSA performance

▪ applied IAST w/ single component dual-site Langmuir adsorption equilibria

▪ adsorbent considered: MIL-101(Cr) from in-silico equilibria

▪ “working capacity” , [ mol CO2 / kgMOF ]

▪ idealized two-step VPSA process, using only adsorption equilibria information

coEvPr Ad coBd

Task 12

Task 13

Model is used to optimize experimental cyclic parameters

Cyclic PSA modeling clearly shows the benefit of thermal modulation

34

Task 12 & 13 (model development)

Task 13

Preliminary Techno-economic Assessment

40

• The specifications given by NETL

for a 550MW (net) power plant

used

• To estimate the capital cost, only

major components considered

• PSA unit, compressors,

expanders, and heat exchangers,

DCC etc.

Equipments TEC (MM$) TIC (MM$)

compressors &

expanders 74.3 222

HX 38.4 115

PSA unit 38.2 115

DCC & cooling

tower 2.2 6.6

Liquid CO2 pump < 0.1 < 0.3

silica bed < 0.1 < 0.3

Total ~153 ~4605 years equipment lifespan

Parasitic load $/tonne CO2

100 MW (18%) 37

137.4MW (25%) 41

165MW (30%) 44

• Levelized cost of electricity (mills/kWh)

• Capital Cost ($)

• Utility cost ($/kg)

• Cost of CO2 capture ($/tonne)

Key metrics for high level technoeconomic

analysis

Task 14 (process flow sheet optimization)

Process Scope—Key Topics, BP2

Seven major activity areas for BP2:

Task 7.0: Generate >250 g/quarter of UiO-66, sub-ambient

sorption isotherms, and simple fiber sorbents—Complete

Task 8.0: Moisture and acid gas stability—Complete

Task 9.0: Lumen layer synthesis—Obsolete via scope change

Task 10.0: Cyclic RCPSA using clean gas—Complete

Task 11.0: PCM integration into modules—Complete

Task 12.0 & 13.0: Model development—Complete

Task 14.0: Flowsheet optimization—Complete

41

42

BP2—All milestones achieved

Budget

Period

Task/Subtask No. Milestone Description Planned Completion Actual

Completion

Verification Method

2 6 Test PSA using syringe

fiber samples

4/30/16 8/31/16 Report to DOE

2 7 Produce 250+ g of UiO-66

@ >900 m2/g surface area

and >2.5 mol CO2/kg @

273K & 1 bar

01/31/17 1/31/17 Report to DOE

2 8 MOF moisture and acid

gas test (SO2 and steam

exposure)

09/30/17 9/30/17 Report to DOE

2 9 Lumen layer synthesis and

barrier properties

04/31/17 Eliminated by

Scope Change to

SOPO

Report to DOE

2 10 Test monolithic fibers in

sub-ambient PSA using

clean gas

09/30/17 12/10/17

(expected)

Report to DOE

2 11 PCM integration into

modules

09/30/17 1/31/17 Report to DOE

2 12 Model development of

fibers with PCM

09/30/17 9/30/17 Report to DOE

2 13 Modeling phase change

and adsorption using

experimental data

09/30/17 9/30/17 Report to DOE

2 14 Process flowsheet

optimization

09/30/17 9/30/17 Report to DOE

43

BP2—All success criteria met

Decision Point Success Criteria

Conclusion of budget period 2

Testing of monolithic fibers in sub-ambient PSA,

including cyclic parameter optimization and long

term cycle testing;

demonstration of phase change materials in

fiber sorbent

Process Scope— the “big picture”

Five major activity areas are proposed in this work:

(1) MOF synthesis, sub-ambient adsorption characterization, and

stability,

(2) Composite hollow fiber spinning (cellulose acetate/polysulfone

fibers containing UiO-66 sorbents),

(3) RCPSA system construction and testing of fiber sorbent

modules and hollow fiber sorbent modules with bore-side

phase change material,

(4) Modeling and optimization of fiber and hollow fiber module

operation as well as flue gas conditioning optimization, and

(5) Overall system techno-economic analysis.

44

Process Scope—Key Topics, BP3

Seven major activity areas are proposed for this budget period

Task 16.0: Generate >250 g/quarter of MOF

Task 17.0: Construct/test RCPSA for dirty gas testing

Task 18.0: Model validation

Task 19.0: No PCM fiber sorbent testing in dirty RCPSA

Task 20.0: PCM-containing fiber sorbent testing in clean RCPSA

Task 21.0: Complete technoeconomic assessment

Task 22.0: Test a demonstration module

45

Task 16.0 Milestone: Generate >250 g/quarter of MOF46

Deliverable: Produce 250+ g of MOF @ >900 m2/g surface area and >2.5 mol CO2/kg

@ 273K & 1 bar

Outlook: Inmondo has tested and prepared their reactors for MIL-101(Cr) scale-up. 50

gram demonstration completed. High likelihood of success.

Task 17.0 Milestone: Construct/test RCPSA for dirty gas testing

Deliverable: Subtask 17.1. Estimate dirty gas composition after cooling and compression :

Calculations using typical flue gas leaving the FGD will be used as a basis to estimate the dirty gas

composition after cooling and compression. Custom dirty gas cylinders will be purchased that

reflect this change in the flue gas composition. [Yr 3, Q2]

Subtask 17.2. Ventilated sub-ambient cabinet : The sub-ambient RCPSA cabinet will be sealed and

outfitted to allow handling of corrosive gases. [Yr 3, Q4]

Outlook: PI has already contacted RCPSA and sub-ambient cabinet companies.

Submission of POs is awaiting initiation of BP3. GT has dedicated acid gas labs from

DOE EFRC to house the “dirty” PSA. High likelihood of success.

Task 18.0 Milestone: Model validation47

Deliverable: 18.1 Model validation for monolithic fiber module: The model developed in Task 5.2 will be

validated and modified if necessary by comparing it to data from Task 9.

18.2 Model validation for composite (PCM containing) fiber module: The model implemented in Tasks 12 and 13

will be validated against breakthrough adsorption experiments. Model parameter updates will be performed.

18.3 Updating operating parameters for cyclic testing : The PCM/fiber will be validated and modified if necessary

by comparing it to data from Task 11.

Outlook: Analysis of breakthrough curves obtained before with MOF UiO-66 was

initiated to estimate dead times and range of gas velocities applied in the experimental

system and adjust simulations accordingly. DSC results obtained will be further analyzed

to adjust the simulated fiber composite VPSA cycles. Tools to validate mixture

adsorption equilibria models are ready . High likelihood of success.

Task 19.0 Milestone: Monolithic fiber sorbent stability in dirty

gas RCPSA

Deliverable: Monolithic fiber sorbents will be subjected to dirty gas permeation

experiments in the sub-ambient cabinet. This task will specifically test the stability of

module sealing.

Outlook: Stability of fibers and MOFs have been tested in sub-ambient and acid gas

conditions separately and were found to be stable. Seals have been tested in sub-

ambient conditions and in solvents, but not in acid gases. This task will bring sub-

ambient conditions and acid gas testing together. High likelihood of success.

48

PSA short-cut method

( Ga et al., 2017 )

✓ theoretical captured CO2 purity

✓ theoretical capture efficiency

Combined selectivity/capacity metric

( Krishna, 2017 )

✓ adsorptive selectivity

✓ breakthrough capacity

Multi-scale modeling of sub-ambient VPSA

Hierarchical level 1 : atomistic predictions

Computational chemistry

✓ adsorptive selectivity

✓ working capacity

✓ crystalline diffusivities, etc.

Hierarchical level 2 : idealized process operations

Hierarchical level 3: detailed, full-order, robust process (VPSA) modeling & optimization … BP3 …

MOF equilibria

Accept/reject MOF

MOF equilibria

Accept/reject MOF

preliminary screening

parallelizable

Hierarchical level 4: Capture plant flow sheet optimization using cost of CO2 capture as a metric

Task 20.0 Milestone: Composite (PCM containing) fiber testing in

sub-ambient PSA

49

Deliverable: Subtask 20.1 – Cycle parameter optimization: Fiber modules with PCM will be tested at the

optimum sub-ambient conditions found in subtask 2.2.

Subtask 20.2 – In-situ temperature measurements: In-situ measurements of the module temperature will assess

sorption-enthalpy-induced temperature excursions.

Outlook: Preliminary breakthrough experiments showcase the value of including PCM

into the fiber sorbents. High likelihood of success.

Task 21.0 Milestone: Sub-ambient Technical Feasibility Study:

Deliverable: Georgia Tech will complete the Final Technology Feasibility Study.

Outlook: Existing framework for TEA has been established in BP2. System will be

updated as new data and ideas are integrated into the process flow diagram. High

likelihood of success.

Task 22.0 Milestone: Test several large modules (3/8”-1/2” ID,

~20” long, 100 fibers) in sub-ambient RCPSA

50

Deliverable: A module with 3/8-1/2” ID and length ~20” will be constructed and tested

as a prototype for future module scale up. Baseline performance data will be obtained.

Outlook: Georgia Tech can create this quantity of fibers and construct modules at this

scale, and Inmondo has the capability to produce MOFs at the scales required. High

likelihood of success.

Budget Period 3 Success Criteria

Decision Point Date Success Criteria

Conclusion of budget period 3 12/31/18

Use large modules (>100 fibers) to construct

purity-recovery Pareto curve for simple (4-step)

Skarstrom cycle;

model validation for PCM-containing fiber modules;

technoeconomic assessment of overall process

51

Budget Period 1 Budget Period 2 Budget Period 3 Task Start Task End

Q1 Q2 Q3 Q4 Q1 Q2 Q3 Q4 Q1 Q2 Q3 Q4 Date Date

1 Project Management, Planning, and ReportingM1

10/1/2015 12/31/2018 188,713.88$

2Synthesis of UiO -66, sub-ambient isotherm

generation, and preliminary fiber formation10/1/2015 4/1/2016 285,281.05$

2.1 UiO-66 Synthesis (1 kg), 250 g/quarterM2

2.2 Sub-ambient isotherm generation

2.3 Syringe extrusion of fiber sorbents

3 Spin fibers 4/1/2016 9/30/2016 239,195.05$

3.1 Spin monolithic fibersM3

3.2 Spin hollow fibers

4 RCPSA Module construction and seal testing 4/1/2016 9/30/2016 212,044.75$

5 Bare-fiber module model development 10/1/2015 9/30/2016 135,959.55$

5.1Bare-fiber module model development for MOF-5 and

PCN-11.

5.2 Model development for UiO-66

5.3Model-based optimization for bare-fiber module cyclic

experiments

6 RCPSA system testing/construction 10/1/2016 4/1/2017 216,083.58$

6.1 Use powder samples

6.2 Use fiber samplesM6

7Synthesize 1 kg of MO F (250 g/ quarter) and spin

fibers10/1/2016 9/30/2017 154,817.58$

8 MO F moisture and acid gas stability 10/1/2016 9/30/2017 73,996.33$

8.1 MOF performance enhancement through functionalization

8.2 MOF particle size control

8.3 MOF Acid Gas Stability Testing

9 Hollow Fiber Lumen Layer Synthesis 4/1/2017 9/30/2017 69,553.33$

9.1 Lumen layer construction

9.2 Lumen layer properties at 25C

9.3 Lumen Layer properties at sub-ambient conditionsM10

10 Test bare fibers in sub-ambient PSA 10/1/2016 9/31/2017 65,400.33$

10.1 Cyclic parameter optimization

10.3 Long-term cyclic testing

11 Phase change material integration into modules 4/1/2017 9/30/2017 51,265.33$

11.1 Investigate PCM melting and freezing kinetics

11.2 Integrate PCM into fiber modules

12Model development for composite (PCM containing)

fibers (using lit. data)and process optimization10/1/2016 4/1/2017 44,746.33$

13Model development for composite hollow fibers

(using exp. Data)4/1/2017 9/30/2017 44,746.33$

14 Process superstructure optimization 10/1/2016 9/30/2017 15,833.08$

15 Process flowsheet optimization 10/1/2017 12/31/2018 15,833.08$


fibers10/1/2017 12/31/2018 155,223.64$

17 Construct/test PSA system for dirty gas 10/1/2017 4/1/2018 81,493.48$

17.1 Estimate/test dirty gas composition after cooling

17.2 Construct ventilated sub-ambient cabinet

18 Model Validation for fiber modules 10/1/2017 4/1/2018 81,420.48$

18.1 Model validation for bare fibers

18.2 Model validation for composite fibers

18.3 Update model parameters for cyclic testing

19 Monolithic fiber sorbent testing in dirty gas PSA 1/1/2018 7/1/2018 112,636.48$

20Composite PCM hollow fiber testing in sub-ambient

PSA1/1/2018 12/31/2018 116,880.48$


20.2 In-situ temperature measurementsM20

21Sub-ambient technical feasibility study and re-

optimizationM21

10/1/2017 12/31/2018 77,220.48$

22 Test large module in clean sub-ambient PSA 6/1/2018 12/31/2018 68,971.48$

Milestones denoted M.Task; e.g. M1ab is updated project management plan & project kick-off meeting in year 1, Q1. Total: 2,500,776.00$

All tasks have deliverables. However, not all tasks have milestones, which are the most critical deliverables.

Milestones exist for tasks 1, 2, 3, 6, 10, 20, 21. Milestones are not numbered consecutively. There are 8 milestones spread over 18 tasks.

Task Description Cost

Task 9 deliverables

incorporated into task

11 as result of scope

change

Budget Period 1 Budget Period 2 Budget Period 3 Task Start Task End

Q1 Q2 Q3 Q4 Q1 Q2 Q3 Q4 Q1 Q2 Q3 Q4 Date Date

1 Project Management, Planning, and ReportingM1

10/1/2015 12/31/2018 188,713.88$

2Synthesis of UiO -66, sub-ambient isotherm

generation, and preliminary fiber formation10/1/2015 4/1/2016 285,281.05$

2.1 UiO-66 Synthesis (1 kg), 250 g/quarterM2

2.2 Sub-ambient isotherm generation

2.3 Syringe extrusion of fiber sorbents

3 Spin fibers 4/1/2016 9/30/2016 239,195.05$

3.1 Spin monolithic fibersM3

3.2 Spin hollow fibers

4 RCPSA Module construction and seal testing 4/1/2016 9/30/2016 212,044.75$

5 Bare-fiber module model development 10/1/2015 9/30/2016 135,959.55$

5.1Bare-fiber module model development for MOF-5 and

PCN-11.

5.2 Model development for UiO-66

5.3Model-based optimization for bare-fiber module cyclic

experiments

6 RCPSA system testing/construction 10/1/2016 4/1/2017 216,083.58$

6.1 Use powder samples

6.2 Use fiber samplesM6


fibers10/1/2016 9/30/2017 154,817.58$

8 MO F moisture and acid gas stability 10/1/2016 9/30/2017 73,996.33$

8.1 MOF performance enhancement through functionalization

8.2 MOF particle size control

8.3 MOF Acid Gas Stability Testing

9 Hollow Fiber Lumen Layer Synthesis 4/1/2017 9/30/2017 69,553.33$

9.1 Lumen layer construction

9.2 Lumen layer properties at 25C

9.3 Lumen Layer properties at sub-ambient conditionsM10

10 Test bare fibers in sub-ambient PSA 10/1/2016 9/31/2017 65,400.33$


10.3 Long-term cyclic testing

11 Phase change material integration into modules 4/1/2017 9/30/2017 51,265.33$

11.1 Investigate PCM melting and freezing kinetics

11.2 Integrate PCM into fiber modules

12Model development for composite (PCM containing)

fibers (using lit. data)and process optimization10/1/2016 4/1/2017 44,746.33$

13Model development for composite hollow fibers

(using exp. Data)4/1/2017 9/30/2017 44,746.33$

14 Process superstructure optimization 10/1/2016 9/30/2017 15,833.08$

15 Process flowsheet optimization 10/1/2017 12/31/2018 15,833.08$


fibers10/1/2017 12/31/2018 155,223.64$

17 Construct/test PSA system for dirty gas 10/1/2017 4/1/2018 81,493.48$

17.1 Estimate/test dirty gas composition after cooling

17.2 Construct ventilated sub-ambient cabinet

18 Model Validation for fiber modules 10/1/2017 4/1/2018 81,420.48$

18.1 Model validation for bare fibers

18.2 Model validation for composite fibers

18.3 Update model parameters for cyclic testing

19 Monolithic fiber sorbent testing in dirty gas PSA 1/1/2018 7/1/2018 112,636.48$

20Composite PCM hollow fiber testing in sub-ambient

PSA1/1/2018 12/31/2018 116,880.48$


20.2 In-situ temperature measurementsM20

21Sub-ambient technical feasibility study and re-

optimizationM21

10/1/2017 12/31/2018 77,220.48$

22 Test large module in clean sub-ambient PSA 6/1/2018 12/31/2018 68,971.48$

Milestones denoted M.Task; e.g. M1ab is updated project management plan & project kick-off meeting in year 1, Q1. Total: 2,500,776.00$

All tasks have deliverables. However, not all tasks have milestones, which are the most critical deliverables.

Milestones exist for tasks 1, 2, 3, 6, 10, 20, 21. Milestones are not numbered consecutively. There are 8 milestones spread over 18 tasks.

Task Description Cost

Task 9 deliverables

incorporated into task

11 as result of scope

change

Remaining Project Schedule

Proposed Budget vs. Actual

DOE Contribution Proposed / Actual

BP1: $705,441 / $645,741

BP2: $681,845 / $821,353

BP3: $599,698 / $520,890

Total: $1,986,984 / $1,985,984 (79%)

Cost Share Provided by Georgia Tech: $513,792 / $513,791 (20.5% / 20.5%)

Total Budget: $2,500,776

5 primary researchers supported (2 post-doctoral researchers, 3 graduate student

researchers)

5 PIs supported (Lively, Kawajiri, Realff, Sholl, Walton)

Major equipment purchases/construction: Sub-ambient rapid pressure swing adsorption

units

52

Cost share over BP1 + BP2: $357,914

Federal share over BP1 + BP2: $1,307,094

Cost share % over BP1 + BP2: 21.5%

Summary53

• Novel polymer/MOF/PCM sorbent

composite fibers will be used in new sub-

ambient RPSA process for post-

combustion CO2 capture

• 50% experimental demonstration

• 50% prediction, modeling,

optimization, and economic feasibility

analysis

• Viability of concept is actively being

demonstrated

• Potential for game-changing swing

capacities by utilizing MOFs in sub-

ambient conditions has been shown

Path forward:• Material fabrication technology has been demonstrated

• RCPSA operation is being demonstrated experimentally / dynamic model has shown

its viability

• TEA analysis suggests this is a low-cost CO2 capture process

• What is the path forward after BP3?

220 230 240 250 260 270 2800

5

10

15

20

CO2 single component

N

CO

2 (

mo

l/kg

)

Temperature (K)

Pads = 2.0 bar

Pdes = 0.1 bar

Pdes = 0.2 bar

Pdes = 0.3 bar

Pdes = 0.5 bar

Pdes = 1.0 bar

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