Data Files Accompanying: Hydration and Hydrogen Bond Disorder of Octadecanoic Acid and Octadecanol Films on Water at 21 ᵒC and 1 ᵒC

Authors: Vazquez de Vasquez, Maria G.; Carter-Fenk, Kimberly A.; McCaslin, Laura; Beasley, Emma E.; Simpson, Jessica B.; Allen, Heather C.
Journal: J. of Phys. Chem. A

Contact: 
Heather C. Allen, allen@chemistry.ohio-state.edu, Department of Chemistry & Biochemistry, The Ohio State University

Cite as:
Vazquez de Vasquez, Maria G.; Carter-Fenk, Kimberly A.; McCaslin, Laura; Beasley, Emma E.; Simpson, Jessica B.; Allen, Heather C. (2021). Data from: Hydration and Hydrogen Bond Disorder of Octadecanoic Acid and Octadecanol
Films on Water at 21 ᵒC and 1 ᵒC. In Center for Aerosol Impacts on Chemistry of the Environment (CAICE). UC San Diego Library Digital Collections.
DOI:10.6075/J05X2934

Abbreviations:
Isotherm: Surface pressure-area isotherm (Π-A)
IRRAS: Infrared reflection absorption spectroscopy
FTIR: Fourier transform infrared 
MCT: HgCdTe
MMA: Mean Molecular Area
RA: Reflectance-absorbance
R: Reflectivity of a monolayer
R0: Reflectivity of a monolayer free aqueous surface
G-TC: Gas-tilted condensed phase: G-TC
TC: Tilted condensed
UC: Untitled condensed
Deuterated octadecanoic acid: stearic-d35 acid,octadecanoic -d35 acid and octadecanol-d37 
Deuterated octadecanol: stearyl-d37 alcohol,octadecanol-d37
sea surface microlayer (SSML)

Files:
mgvv_2021_IsothermStearic Acid_Temperature
mgvv_2021_IsothermStearyl Alcohol_Temp
mgvv_2021All IRRAS Data
mgvv_2021_SurfacePotentialStearic Acid_21C
mgvv_2021_SurfacePotentiaStearyl Alcohol_1C
mgvv_2021_SurfacePotentiStearyl Alcohol_21C
mgvv_2021_SurfacePotentialStearic Acid_1C

Folders:
Isothem Data
SurfacePotential Data
IRRAS Data

Experimental Methods for Data Collection:
Materials
Octadecanoic acid (stearic acid, CH3(CH2)16COOH, >99%, Sigma Aldrich), octadecanol
(stearyl alcohol, CH3(CH2)17OH, 99%, Sigma Aldrich), deuterated octadecanoic acid (stearic-d35
acid, CD3(CD2)16CO2H, >98%, Sigma Aldrich), and deuterated octadecanol (stearyl-d37 alcohol,
CD3(CD2)17OH, >98%, Cambridge Isotopes Laboratories) were used as received. The compounds
were dissolved in chloroform (HPLC grade, Fisher Scientific) to prepare ~3 mM octadecanoic
acid and octadecanol solutions and ~2 mM octadecanoic-d35 acid and octadecanol-d37 solutions.
Control experiments were performed using a cationic surfactant, dimethyldioctadecylammonium
(bromo salt, DDBA; >98% Sigma Aldrich). Nanopure water with a resistivity of 18.2 MΩ٠cm
(Milli-Q Advantage A10, EMD Millipore) was used as the aqueous subphase, and the ultrapure
water had a pH of 5.6 due to atmospheric CO2 acidification. The ultrapure water was equilibrated
at room temperature prior to starting experiments.

Surface Pressure-Area Isotherms
	Teflon Langmuir trough; Biolin Scientific Paramus, NJ
	Delrin barriers
	Wilhelmy plate method: using precut filter paper plates (Ashless grade, Whatman)
	Each isotherm was averaegd in Origin 9.0.0
	Error shown is 1 standard deviation from the mean and was calculated in Origin 9.0.0
Surface Potential 
	Teflon Langmuir trough; Biolin Scientific Paramus, NJ
	Delrin barriers
	Wilhelmy plate method: using precut filter paper plates (Ashless grade, Whatman)
	KSV SPOT measuring head
	Counter electrode made of stainless steel
	Cable for connecting the measuring head and counter electrode (crocodile clip – RCA cable)
	15-pin device cable for connecting SPOT measuring head to LayerBuilder unit
	Each isotherm was averaegd in Origin 9.0.0
	Error shown is 1 standard deviation from the mean and was calculated in Origin 9.0.0
Infrared Reflection Absorption Spectroscopy
	FTIR spectrometer (Frontier, Perkin Elmer, United States) with liquid nitrogen cooled HgCdTe (MCT) detector
	Each IRRAS spectrum was averaegd in Origin 9.0.0
	Error shown is 1 standard deviation from the mean and was calculated in Origin 9.0.0