3D printing of functional hydrogel devices for screenings of membrane permeability and selectivity
Data files
Dec 06, 2024 version files 373.44 KB
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Figures.zip
342.01 KB
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README.md
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Abstract
This dataset accompanies the article "3D printing of functional hydrogel devices for screenings of membrane permeability and selectivity" by Isabel Arias Ponce, Rahul Sujanani, Joshua D. Moon, Juan Manuel Urueña, Craig Hawker, and Rachel Segalman in ACS Applied Polymer Materials. The article demonstrates the fabrication of a 3D printed millifluidic device for ligand permeability and selectivity measurements towards water separations. This dataset contains FT-IR data for ligand functionalized and non-functionalized samples, conductivity data and salt concentration data for the 3D printed device and permeation cell membrane samples, salt permeability data for both monovalent and divalent salt species at varying ligand densities, salt selectivity data at varying ligand concentrations, and conductivity calibration curves for all probes and salt species used in this study.
README
This README.txt file was generated on 2024-07-01 by ISABEL F ARIAS PONCE
GENERAL INFORMATION
Title of Dataset: 3D printing of functional hydrogel devices for screenings of membrane permeability and selectivity
Author Information
A. Principal Investigator Contact Information
Name: Craig Hawker
Institution: University of California, Santa Barbara
Address: Materials Department, University of California Santa Barbara, Santa Barbara, California 93106-5050, United States; Department of Chemistry & Biochemistry, University of California Santa Barbara, Santa Barbara, California 93106-9510, United States; Materials Research Laboratory, University of California Santa Barbara, Santa Barbara, California 93106-5121, United States
Email: hawker@mrl.ucsb.edu
Name: Rachel Segalman
Institution: University of California, Santa Barbara
Address: Materials Department, University of California Santa Barbara, Santa Barbara, California 93106-5050, United States; Department of Chemical Engineering, University of California, Santa Barbara, Santa Barbara, California 93106-5080, United States; Department of Chemistry & Biochemistry, University of California Santa Barbara, Santa Barbara, California 93106-9510, United States; Materials Research Laboratory, University of California Santa Barbara, Santa Barbara, California 93106-5121, United States
Email: segalman@ucsb.edu
B. Associate or Co-investigator Contact Information
Name: Isabel F Arias Ponce
Institution: University of California, Santa Barbara
Address: Materials Department, University of California, Santa Barbara, Santa Barbara, CA 93106
Email: iariasponce@ucsb.edu
Name: Rahul Sujanani
Institution: University of California, Santa Barbara
Address: Materials Department, University of California, Santa Barbara, California 93106, United States; Department of Chemical Engineering, University of California, Santa Barbara, California 93106, United States
Email: rsujanani@ucsb.edu
Name: Joshua D. Moon
Institution: University of California, Santa Barbara
Address: Materials Department, University of California, Santa Barbara, California 93106, United States; Department of Chemical Engineering, University of California, Santa Barbara, California 93106, United States
Email: joshua.moon@ufl.edu
Name: Juan Manuel Urueña
Institution: University of California, Santa Barbara
Address: National Science Foundation (NSF) BioPolymers, Automated Cellular Infrastructure, Flow, and Integrated Chemistry Materials Innovation Platform (BioPACIFIC MIP), University of California, Santa Barbara, California 93106, United States
Email: jmuruena@ucsb.edu
Date of data collection (single date, range, approximate date)
2022-12 to 2023-05
Information about funding sources that supported the collection of the data:
We gratefully acknowledge support from Center for Materials for Water and Energy Systems (M-WET), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award #DE-SC0019272. We also made significant use of the facilities of the Materials Research Science and Engineering Center (MRSEC) at UC Santa Barbara: NSF DMR-2308708, which is a member of the Materials Research Facilities Network (www.mrfn.com), and of the facilities of the BIOPACIFIC Materials Innovation Platform (NSF 19-526) at UC Santa Barbara: NSF DMR-1933487. The authors also acknowledge the use of the Innovation Workshop within the California NanoSystems Institute, supported by the University of California, Santa Barbara and the University of California, Office of the President.
DATA & FILE OVERVIEW
- File List:
A. Figure 3-B: FTIR spectra of functionalized vs control materials.
'Upon functionalization, PFPA characteristic peaks disappear and an amide characteristic peak appears in adjacent regions.'
a. Figure3B_ctrlvsimid.csv
1. Variables: Wavenumber, Peak intensity for control materials, Peak intensity for functionalized materials
2. Column names: Wavenumber, control, functionalized
B. Figure 4-B: Permeability of non-grafted materials at varying NaCl concentrations.
'Permeability values are independent of salt concentration for 0.01-1 M NaCl solutions with both the traditional assay and the 3DP permeation device.'
a. Figure4B_PermeabilityNaCl.csv
1. Variables: NaCl concentration(M)
2. Column names: NaCl concentration(M), Permeability measured in permeation cell (cm^2/s), Permeability measured in 3DP permeation device (cm^2/s)
b. Figure4B_RawData_1MNaCl_PermeationCell
1. Variables: Time (s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
c. Figure4B_RawData_100mMNaCl_PermeationCell
1. Variables: Time (s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
d. Figure4B_RawData_10mMNaCl_PermeationCell
1. Variables: Time (s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
e. Figure4B_RawData_1MNaCl_3DPPermeationDevice
1. Variables: Time (s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
f. Figure4B_RawData_100mMNaCl_3DPPermeationDevice
1. Variables: Time (s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
g. Figure4B_RawData_10mMNaCl_3DPPermeationDevice
1. Variables: Time (s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
h. Figure4B_PropError
1. Variables: Time (s)
2. Column names: Salt Molarity (M), Type (Membrane or 3DP Device), Flux (mol/s/cm^2), Permeability (cm^2/s), Membrane thickness (cm), Error of feed conc (M), Error of membrane thickness (cm), Error of flux (mol/s/cm2), Permeability propagation of error (cm^2/s)
C. Figure 4-C: Permeability of non-grafted materials for NaCl, MgCl2, and CuCl2.
'Permeability measurements with various salts follow similar trends in both the 3DP permeation device and the traditional assay, with permeability values from highest to lowest: NaCl > MgCl2 > CuCl2.'
a. Figure4C_PermeabilitySaltSpecies.csv
1. Variables: Salt Species (1 M)
2. Column names: Salt species (1 M), Permeability measured in permeation cell (cm^2/s), Permeability measured in 3DP permeation device (cm^2/s)
b. Figure4C_RawData_1M_MgCl2_PermeationCell
1. Variables: Time (s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
c. Figure4C_RawData_1M_MgCl2_3DPPermeationDevice
1. Variables: Time (s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
d. Figure4C_RawData_1M_CuCl2_PermeationCell
1. Variables: Time (s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
e. Figure4C_RawData_1M_CuCl2_3DPPermeationDevice
1. Variables: Time (s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
f. Figure4C_PropError
1. Variables: Time (s)
2. Column names: Salt species, Type (Membrane or 3DP Device), Flux (mol/s/cm^2), Permeability (cm^2/s), Membrane thickness (cm), Error of feed conc (M), Error of membrane thickness (cm), Error of flux (mol/s/cm2), Permeability propagation of error (cm^2/s)
D. Figure 6-A: Permeability for NaCl, MgCl2, and CuCl2 at varying imidazole grafting densities.
'3DP permeation devices show decreasing permeability of CuCl2 with increasing imidazole grafting densities up to 0.3 mol imidazole/L of swollen polymer. This is due to stronger copper-ligand interactions which impede diffusion at higher ligand concentrations.'
a. Figure6A_ImidGrafted_PermeabilitySaltSpecies.csv
1. Variables: Imidazole grafting density (mol/L)
2. Column names: Imidazole grafting density (mol/L), Permeability NaCl (cm^2/s), Permeability MgCl2 (cm^2/s), Permeability CuCl2 (cm^2/s)
b. Figure6A_RawData_Permeability_ImidGrafted_0molpL_NaCl.csv
1. Variables: Time(s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
c. Figure6A_RawData_Permeability_ImidGrafted_01molpL_NaCl.csv
1. Variables: Time(s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
d. Figure6A_RawData_Permeability_ImidGrafted_02molpL_NaCl.csv
1. Variables: Time(s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
e. Figure6A_RawData_Permeability_ImidGrafted_03molpL_NaCl.csv
1. Variables: Time(s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
f. Figure6A_RawData_Permeability_ImidGrafted_0molpL_MgCl2.csv
1. Variables: Time(s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
g. Figure6A_RawData_Permeability_ImidGrafted_01molpL_MgCl2.csv
1. Variables: Time(s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
h. Figure6A_RawData_Permeability_ImidGrafted_02molpL_MgCl2.csv
1. Variables: Time(s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
i. Figure6A_RawData_Permeability_ImidGrafted_03molpL_MgCl2.csv
1. Variables: Time(s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
j. Figure6A_RawData_Permeability_ImidGrafted_0molpL_CuCl2.csv
1. Variables: Time(s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
k. Figure6A_RawData_Permeability_ImidGrafted_01molpL_CuCl2.csv
1. Variables: Time(s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
l. Figure6A_RawData_Permeability_ImidGrafted_02molpL_CuCl2.csv
1. Variables: Time(s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
m. Figure6A_RawData_Permeability_ImidGrafted_03molpL_CuCl2.csv
1. Variables: Time(s)
2. Column names: Raw Date, Time(s), Raw Conductivity, Sub Conductivity, Raw Temperature, Concentration (mM)
n. Figure6A_PropError
1. Variables: Imidazole grafting density (mol/L), Salt species (NaCl, MgCl2, CuCl2)
2. Column names: Salt species, Ligand concentration (mmol/L), Flux (mol/s/cm^2), Permeability (cm^2/s), Membrane thickness (cm), Error of feed conc (M), Error of membrane thickness (cm), Error of flux (mol/s/cm2), Permeability propagation of error (cm^2/s)
E. Figure 6-B: Selectivity for NaCl over CuCl2 at varying imidazole grafting densities.
'The selectivity of imidazole grafted materials increases with increasing ligand densities for CuCl2 compared to NaCl. Error bars represent values calculated by a standard propagation of error analysis (SI section 6.5).'
a. Figure6B_ImidGrafted_Selectivity_NaCltoCuCl2.csv
1. Variables: Imidazole grafting density (mol/L)
2. Column names: Imidazole grafting density (mol/L), Permeability NaCl/Permeability CuCl2
b. Figure6B_PropError
1. Variables: Imidazole grafting density (mol/L)
2. Column names: Imidazole grafting density (mol/L), Permeability NaCl/Permeability CuCl2, Stdev(propagation of error)
F. Figure S4: FTIR analysis of substituted and unsubstituted PFPA random copolymer networks fabricated either by 3D printing or UV curing.
'Imidazole substituted 3DP chips or UV cured networks show disappearing PFPA characteristic peaks at 1780, 1520, and 985 cm-1.'
a. a_FTIR_Imid_grafted_vs_nongrafted.csv
1. Variables: Wavenumber.
2. Column names: Wavenumber, Peak intensity for control (nongrafted) film, Peak intensity for imidazole (grafted) film, Peak intensity for control (nongrafted) 3DP chips, Peak intensity for imidazole (grafted) 3DP chips.
G. Figure S5: A) Measured NaCl permeability values of UV cured and 3D printed 0-PFPA materials plotted against published permeabilities for PEG membranes. B) Permeability vs ϕ_w for PEG membranes and estimates of permeability values of UV cured and 3D printed 0-PFPA materials. A)'Permeability vs 1/ϕ_w for PEG based membranes to NaCl (published by the Freeman lab) and for 0-PFPA UV cured membranes and 3D printed devices.'B)'Permeability vs ϕ_w for PEG membranes and estimates of permeability values of UV cured and 3D printed 0-PFPA materials.'
a. a_permeability_vs_watervolfraction.csv
1. Variables: Water volume fraction (ϕ_w)\
2. Column names: Water volume fraction (ϕ_w), 1/ϕ_w, Ps(DsKs), Notes.
H. Figure S8-B: Sample data extracted from the permeation device showing concentration vs. time curves for 1M NaCl.
'Permeate concentration (mM) vs time (hrs) for 3DP devices with 1M NaCl'
a. a_raw-and-processed-data_1MNaCl_nongrafted_3DP-device.csv
1. Variables: time, conductivity
2. Column names: Raw date, time(s), time(hrs), raw conductivity, sub conductivity, raw temperature, concentration(mM).
METHODOLOGICAL INFORMATION
Description of methods used for collection/generation and processing of data: Please refer to the manuscript supplementary information section.
Please refer to the supplementary information section.
Standards and calibration information, if appropriate:
F. Salt calibration curves:
a. a_CuCl2-OrionStar_VersaCh2_VersaCh4.csv
1. Variables: 0.1M CuCl2 (mL), DI water (mL), Conductivity
2. Column names: 0.1M CuCl2 (mL), DI water (mL), actual conc (mM), Orion star conductivity (uS/cm2), Orion star Temp (oC), Versa star channel 2 conductivity (uS/cm2), Versa star channel 2 Temp (oC), Versa star channel 4 conductivity (uS/cm2), Versa star channel 4 Temp (oC), Probe, Slope, Y-inter, Max Conductivity
b. b_MgCl2-OrionStar_VersaCh2_VersaCh4.csv
1. Variables: 1M MgCl2 (mL), DI water (mL), Conductivity
2. Column names: 1M MgCl2 (mL), DI water (mL), actual conc (mM), Orion star conductivity (uS/cm2), Orion star Temp (oC), Versa star channel 2 conductivity (uS/cm2), Versa star channel 2 Temp (oC), Versa star channel 4 conductivity (uS/cm2), Versa star channel 4 Temp (oC), Probe, Slope, Y-inter, Max Conductivity
c. c_NaCl-OrionStar_VersaCh2_VersaCh4.csv
1. Variables: 0.1M NaCl (mL), DI water (mL), Conductivity
2. Column names: 0.1M NaCl (mL), DI water (mL), actual conc (mM), Orion star conductivity (uS/cm2), Orion star Temp (oC), Versa star channel 2 conductivity (uS/cm2), Versa star channel 2 Temp (oC), Versa star channel 4 conductivity (uS/cm2), Versa star channel 4 Temp (oC), Probe, Slope, Y-inter, Max Conductivity
Environmental/experimental conditions: Data collected at room temperature.
Describe any quality-assurance procedures performed on the data: Please refer to the supplementary information section.
People involved with sample collection, processing, analysis and/or submission: Isabel F Arias Ponce collected, processed, analyzed, and submitted the data.