Modeling Small Molecule Movement Across a Polymer Membrane Tyler Barna Ella Glenn Lawrence Huang Richard Huisa Dongmin Kim Ellen Li Tina Lu Thomas Mazumder Anjali Nambrath Catherine Ryczek Aditya Shah Yulan Zhang ID: 708776
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Slide1
Controlled Release Kinetics: Modeling Small Molecule Movement Across a Polymer Membrane
Tyler Barna, Ella Glenn, Lawrence Huang, Richard Huisa, Dongmin Kim, Ellen Li, Tina Lu, Thomas Mazumder, Anjali Nambrath, Catherine Ryczek, Aditya Shah, Yulan Zhang
Advisor: Dr. David Cincotta Assistant: Stephanie HojsakSlide2
Controlled Release KineticsSlide3
Pseudo-Zero Order ProcessSlide4
EVA: poly(ethylene vinyl acetate)
A
copolymer
made of thousands of units of ethylene and vinyl acetate monomers
EVA is
selectively permeable
Vinyl acetate
Ethylene
mSlide5
Fick’s Law of Diffusion
J
=
-D
∂𝜑
∂
x
Diffusion coefficient
m
2
/hr
Chemical potential
Membrane thickness
m
Diffusion flux
mol/(m
2
hr)
⋅
concentration gradient
mol/m
3
∝Slide6
Fick’s Law of Diffusion Rearranged
Diffusion Coefficient (D)
=
Rate of
Diffusion
Δ
X
Δ
C
⋅
Membrane thickness
Concentration gradient across membrane
Membrane area
ASlide7
Membrane Diffusion
Chemical Introduced to System
Evaporation in System
Dissolution in Membrane
Evaporation to Surroundings
Tested system: Sealed Jar
Surroundings: Open LaboratorySlide8
Chemical Variables
Chemicals have
different volatility
Chemicals have
a
variety of polarities
Chemicals possess
unique sizes, structures
Unique properties
of each chemical result in
different interactions
and
different measured rates
of diffusion.Slide9
“Like dissolves like”
𝛿
P
=
polarity
𝛿
D
= dispersion 𝛿H
= hydrogen-bonding
Ra measures how “different” compounds are
Hansen Solubility Parameters
R
a
= 4
(
𝛿
D2
-
𝛿
D1
)
2 + (𝛿P2
-
𝛿P1)2 + (𝛿
H2
- 𝛿
H1)2Slide10
Hansen Solubility Parameters
𝛿
H
𝛿
D
𝛿
P
EVA
Alcohols
AlkanesSlide11
Higher molecule-membrane compatibility
Higher vinyl acetate composition of membrane
Larger Diffusion Coefficient
Predicted by Hansen
Solubility Parameters
HypothesesSlide12
Solutions
EVA Membrane ProductionSlide13
Solutions
Casting
EVA Membrane ProductionSlide14
EVA Membrane Production
Solutions
Casting
InspectionSlide15
Solutions
Inspection
Casting
Membrane placement
EVA Membrane ProductionSlide16
Raw Data CollectionSlide17
Hansen Solubility ParametersSlide18
Effect of Compound Polarity and Membrane Composition on Diffusion Coefficients (D)
Better
D with 13.3
% VA
Better
D with
9.8
% VA
D 13.3
% VA
Increasing dipole moment
D 9.8
% VASlide19
Effect
of Functional Groups for 9.8% VA Slide20
Effect
of Functional Groups for 13.3% VA Slide21
Potential Future Research
Liquid-liquid diffusion of aqueous solutes
Vapor-gas diffusion of mixturesSlide22
Acknowledgements
Overdeck Foundation
State of New Jersey
Mango Concept
Independent College Fund of New Jersey
Johnson & Johnson
Allergan
Novartis
Celgene
NJGSS Alumni and Parents
NJGSS
Dr. Cincotta
Steph Hojsak
Sydney Li and Bogac Kerem Goksel
Special Thanks to: