DOI: 10.5061/dryad.ht76hdrr2
title: 3D printing of functional hydrogel devices for screenings of membrane permeability and selectivity

description: 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.
description: 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](mailto: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](mailto: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](mailto: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](mailto: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](mailto: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](mailto: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](http://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 1. 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 &gt; MgCl2 &gt;
 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.