XUE YUN LONG

1. Facilitated mass transport mechanism study

i. Molecular dynamics (MD) simulation

·Pin-pointed the exact chemical structure of sulfonated crosslinked polymer

·Established accurate molecular model for pervaporation simulation

·Revealed the facilitated transport mechanism at molecular scales bydynamics simulations

ii. Mathematical research

·Olander model was solved according to experimental and simulation results

·Using Teramoto's model generated water concentration profiles along permeate direction

·Calculated facilitated mass transport results were verified by kinetic water desorption tests

2. Composite membranes for pervaporation desalination 

i. Optimization of coating layer

·Compatibility between crosslinkers and host polymer was predicted by MD simulation

·Predicted results were confirmed by experiments.

·Optimization of mechanical properties for ultra-thin (thickness＜100 nm) polymer films

ii. Optimization of porous substrates

·Fabrication of ultrafiltration membranes by NIPS

·Fabrication of nanofiber mats by electrospun

·Optimization of porous substrates by comparing their gas permeationresistance

iii. Fabrication of composite membranes

·Fabrication of PVA/CPVC composites by drip coating (flux = 58 kg m^-2 h^-1,70 ℃)

·Fabrication of PVA/alumina composites by spray coating (flux = 148 kg m^-2 h^-1,75 ℃)

·Fabrication of PVA/PAN nanofiber composites by spray coating (flux = 211 kg m^-2 h^-1,75 ℃)

3. Design and fabrication of tubular membranes and modules for pervaporation desalination

i. Design of tubular membranes modules

·Optimization of tubular membranes array by CFD simulation

·Optimization of steam outlets for pervaporation desalination modules by CFD simulation

ii. Fabrication of tubular membranes modules

·Fabrication of polymeric tubular ultrafiltration membranes by ultrasonic welding and internal dope solution casting

· Fabrication of tubular pervaporation desalination membranes by internal spray coating dense layers (Inner diameter =8 mm, dense layer thickness＜500 nm, flux = 74 kg m^-2 h^-1,73 ℃)

·Fabrication of tubular pervaporation desalination modules (including 37 tubular membranes,area = 0.94 m² and flux = 42 kg m^-2 h^-1,70 ℃)

4. Gas separation membranes 

·MD simulation for molecular design and gas separation performance prediction

· Synthesis of sulfonated crosslinked PIM-1 for gas separation

1. Facilitated mass transport mechanism study

i. Molecular dynamics (MD) simulation

·Pin-pointed the exact chemical structure of sulfonated crosslinked polymer

·Established accurate molecular model for pervaporation simulation

·Revealed the facilitated transport mechanism at molecular scales bydynamics simulations

ii. Mathematical research

·Olander model was solved according to experimental and simulation results

·Using Teramoto's model generated water concentration profiles along permeate direction

·Calculated facilitated mass transport results were verified by kinetic water desorption tests

2. Composite membranes for pervaporation desalination 

i. Optimization of coating layer

·Compatibility between crosslinkers and host polymer was predicted by MD simulation

·Predicted results were confirmed by experiments.

·Optimization of mechanical properties for ultra-thin (thickness＜100 nm) polymer films

ii. Optimization of porous substrates

·Fabrication of ultrafiltration membranes by NIPS

·Fabrication of nanofiber mats by electrospun

·Optimization of porous substrates by comparing their gas permeationresistance

iii. Fabrication of composite membranes

·Fabrication of PVA/CPVC composites by drip coating (flux = 58 kg m^-2 h^-1,70 ℃)

·Fabrication of PVA/alumina composites by spray coating (flux = 148 kg m^-2 h^-1,75 ℃)

·Fabrication of PVA/PAN nanofiber composites by spray coating (flux = 211 kg m^-2 h^-1,75 ℃)

3. Design and fabrication of tubular membranes and modules for pervaporation desalination

i. Design of tubular membranes modules

·Optimization of tubular membranes array by CFD simulation

·Optimization of steam outlets for pervaporation desalination modules by CFD simulation

ii. Fabrication of tubular membranes modules

·Fabrication of polymeric tubular ultrafiltration membranes by ultrasonic welding and internal dope solution casting

· Fabrication of tubular pervaporation desalination membranes by internal spray coating dense layers (Inner diameter =8 mm, dense layer thickness＜500 nm, flux = 74 kg m^-2 h^-1,73 ℃)

·Fabrication of tubular pervaporation desalination modules (including 37 tubular membranes,area = 0.94 m² and flux = 42 kg m^-2 h^-1,70 ℃)

4. Gas separation membranes 

·MD simulation for molecular design and gas separation performance prediction

· Synthesis of sulfonated crosslinked PIM-1 for gas separation