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["DE-GAS Toolkit"]
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["Dissolved and Exsolved Gas Analysis Spreadsheet"]
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["Navigation Page"]
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[null,"The DE-GAS Toolkit is a spreadsheet platform (Excel v2016+) designed to aid in characterization and interpretation of dissolved hydrocarbon and non-hydrocarbon gas concentration data from IsoFlaskTM samples analyzed at Isotech Laboratories."]
[null,"User must enable Macros for the Toolkit to run properly."]
[]
[]
["Input",null,null,null,"Intermediate Calculations",null,null,null,"Results"]

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["DE-GAS Toolkit"]
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["User's Guide"]
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["How to Use Toolkit"]
["The Toolkit is divided into the following tabs for data entry and calculations:"]
["-","Isotech Data Entry"]
[null,"Copy and paste the Isotech \"DG Toolkit\" report into this tab, or manually enter data from other Isotech report formats or other laboratories. Results will be calculated based on only the data provided."]
["-","Optional Site Data Entry"]
[null,"Enter additional sample and site information in this tab including: preferred sample names (if not listed in the Isotech report), measured or estimated groundwater temperature, site elevation, static water level, and the depth of pump or midpoint of screened interval. Note that these data are only required for calculations of dissolved gas pressures (requires groundwater temperature) and TDGP or the saturation concentration of individual gas components at surface and at depth (both require groundwater temperature, site elevation, and depth of pump or midpoint of screened interval)."]
["-","Dissolved Gas Concentrations"]
[null,"This tab automatically calculates the dissolved gas concentrations prior to exsolution (in mol L-1 and mg L-1) for each gas component measured in the headspace of the IsoFlask container. These data are calculated here based on Henry's law constants at the temperature at the time of analysis, as well as information on atmospheric pressure, headspace gas volume, and the mass of water in the IsoFlask container. For samples with only dissolved concentration data available (e.g., from other laboratories), those data are simply copied into this tab."]
["-","Dissolved Gas Pressures"]
[null,"This tab automatically calculates: 1) the dissolved gas pressure of each gas component (based on total dissolved gas concentrations and Henry's law constants at the measured or estimated groundwater temperature), 2) the \"Sample TDGP\", equal to the sum of dissolved gas pressures, 3) the \"Max Surface TDGP\", based on surface elevation, or sea level if elevation is unknown, and 4) the \"Max In-Situ TDGP\", based on surface elevation and hydrostatic head above the groundwater intake point."]
["-","Gas Saturation Concentrations"]
[null,"This tab automatically calculates the saturation concentration of individual gas components (in mg L-1) at groundwater temperature at 1) surface elevation (\"Surface Sat Conc\", based on surface elevation, or sea level if elevation is unknown) and at 2) the depth of water intake below a column of water (\"In-Situ Sat Conc\", based on surface elevation and hydrostatic head above the groundwater intake point). Both calculations assume that the presence of more than one gas reduces individual gas saturation concentrations accordingly (i.e., in a multi-component gas mixture, individual gas saturation concentrations will be lower than that of a single-component gas)."]
["-","Tabulated Results"]
[null,"Final results for the following are presented in this tab: 1) δ13C of C1, C2, C3 and CO2 and δ2H of C1 and C2 (if analyzed); 2) dissolved gas concentrations (in mol L-1 and  mg L-1); \n3) saturation concentration (in mg L-1) of each gas component at surface (\"Surface Sat Conc\") and at depth of sample intake (\"In-Situ Sat Conc\"); 4) dissolved gas pressures; 5) \"Sample TDGP\" and maximum possible TDGP at surface (\"Max Surface TDGP\") and at depth of sample intake under a column of water (\"Max In-Situ TDGP\"); and 6) the following gas ratios for selected gas components: IsoFlask headspace ratio (HS), aqueous mass ratio (AMS), aqueous molar ratio (AMO), and dissolved gas pressure ratio (DGP)."]
[]
["Assumptions"]
["Calculations in this toolkit are based on the assumptions listed below. Additional information is provided in the “Theoretical Basis” tab."]
["1)","Results are calculated based on only the data provided."]
["2)","Dissolved gas concentrations prior to exsolution are calculated assuming: a) equilibrium partitioning between the headspace and dissolved phases in the IsoFlask container and b) all gases in the IsoFlask container originated from the water phase, with the exception of helium added to the IsoFlask to create a headspace. "]
["3)","Dissolved gas pressures represent the partial pressures of a hypothetical free-phase gas in equilibrium with the dissolved gas."]
["4)","Estimates of total dissolved gas pressure at surface and in-situ are strictly based on the length of the water column above the sample intake point (pressure head) and the surface elevation (used to account for minor variations in atmospheric pressure). They do not consider capillary pressure, differences between hydrostatic pressure and the in-situ water pressure  (e.g., confined aquifers), or the potential contribution of other gases not measured by Isotech. "]
["5)","The effect of increasing pressure on gas solubility is assumed to be linear."]
["6)","For saturation concentration at surface or in-situ, gas composition is held constant and the calculated dissolved gas pressures in each sample are simply scaled up or down to match surface or in-situ pressure conditions."]
["7)","For the purposes of this Toolkit, aqueous CO2 concentrations are directly related to the concentration of CO2 in the headspace of the IsoFlask through Henry's law (based on conditions at the time of analysis). However, the user should be aware that carbonate speciation is strongly dependent on pH. If pH changes during the sample collection process, dissolved CO2 concentrations may also change. These data should therefore be utilized at the user's discretion."]
["8)","Isotech reports concentrations of C6 and heavier hydrocarbons as a single combined measurement  \"C6+\". For the purposes of calculations based on Henry's law in this Toolkit, aqueous concentrations of C6+ are assumed to be primarily comprised of C6. "]
["9)","Aqueous concentrations of both C5 and C6 are directly related to the concentration of these constituents in the headspace of the IsoFlask through Henry's law."]

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["DE-GAS Toolkit"]
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["Theoretical Basis"]
[]
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["Description of IsoFlask Containers "]
["IsoFlask containers are evacuated 750 mL flexible plastic containers filled via an in-line sampling manifold to capture both water and exsolving gases, where the latter comprise the headspace of the IsoFlask container. If headspace gases are not present in a sample upon arrival at the laboratory (i.e., gases have not exsolved from water in the IsoFlask at atmospheric conditions), a headspace is artificially created in the laboratory through injection of a set volume of helium (He). Gases are then allowed to equilibrate between the water and headspace at set temperature and pressure. The headspace gas is analyzed to determine concentrations of hydrocarbon gases (C1-C6+) as well as non-hydrocarbon gases (Ar, CO2, CO, H2, N2, O2), which are reported as % by volume in the headspace of the container. The DE-GAS Toolkit utilizes reported headspace gas concentrations, as well as information on the volume of headspace gas, the mass of water, and the temperature and pressure at the time of analysis to calculate original dissolved gas concentrations (assuming equilibrium partitioning between headspace and dissolved gases). This represents the concentration of dissolved gases in water prior to gas exsolution into the headspace."]
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["Types of Concentration/Pressure Data Available in this Toolkit"]
["Isotech reports the following concentration data:"]
["-","Headspace gas concentrations: C1-C6+, Ar, CO2, CO, H2, N2, O2 (in % volume, equal to mol%)"]
["-","Dissolved gas concentrations prior to exsolution: C1-C4, Ar, N2, O2 (in mg L-1, which can be converted to mol L-1). Note that dissolved concentrations of C5-C6+ and CO2 are not reported by Isotech because calculations of dissolved concentrations of these constituents relies on certain assumptions. In this Toolkit, dissolved concentrations of these gases are calculated using the stated assumptions in the section \"Additional Information\" below. These data should be utilized at the user's discretion."]
["-","Dissolved concentrations of H2 and CO are not reported by Isotech because they are rarely quantifiable in the headspace of IsoFlask samples. "]
["In addition, for each gas component, this Toolkit calculates the dissolved gas pressure, defined as the partial pressure of the free-phase gas (in Pa or atm) that would be in equilibrium with the dissolved gas concentration prior to exsolution for that component (assuming a Henry's law constant based on reported or estimated groundwater temperature). Dissolved gas pressures can also be viewed as an estimate of the original composition of the free-phase source gas in contact with groundwater. "]
["-","Dissolved gas pressures: C1-C6+, Ar, CO2, N2, O2 (in Pa or atm)"]
["The sum of the dissolved gas pressures of all gas components is referred to as the total dissolved gas pressure. In the field, the total dissolved gas pressure is commonly measured by submerging a headspace volume with a gas-permeable membrane, allowing dissolved gases in the water to equilibrate with gases in the headspace, then measuring the pressure in the headspace with a pressure transducer."]
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["Gas Ratios Evaluated in This Toolkit"]
["Concentrations of dissolved gases and their ratios in groundwater are frequently used to evaluate gas origin and/or secondary processes acting on gas composition in the subsurface (e.g., biodegradation); however, ratios may be calculated using different measurements and units. This Toolkit calculates gas ratios using four different approaches based on available data from IsoFlask samples:"]
[null,"1) IsoFlask headspace ratio (HS) [%vol in headspace/%vol in headspace]"]
[null,"2) Aqueous molar ratio (AMO), which represents the dissolved molar concentrations prior to exsolution [(mol L-1)/(mol L-1)]"]
[null,"3) Aqueous mass ratio (AMS), which represents the dissolved mass concentrations prior to exsolution [(mg L-1)/(mg L-1)]"]
[null,"4) Dissolved gas pressure ratio (DGP) [Pa/Pa or atm/atm], which represents the partial pressure of the free-phase gas that would be in equilibrium with the dissolved gas concentration"]
["Comparison of these ratios allows the practitioner to evaluate how results may vary depending on the ratio used. Specific hydrocarbon gas ratios (e.g., C1/(C2+C3)) and non-hydrocarbon gas ratios (e.g., N2/Ar) can be selected in the \"Tabulated Results\" tab. "]
[]
["Total Dissolved Gas Pressure (TDGP)"]
["In some cases, it may be useful to understand the sum of the partial pressures of dissolved gases for a given sample. This is referred to as the total dissolved gas pressure (TDGP). This Toolkit calculates each sample's TDGP (\"Sample TDGP\") based on the sum of dissolved gas pressures of each gas component reported by Isotech. In addition, for comparison, this Toolkit estimates the maximum possible TDGP at surface elevation (\"Max Surface TDGP\", assuming equilibrium with atmospheric pressure at surface) and the maximum possible TDGP at the depth of water intake below a column of water (\"Max In-Situ TDGP\", assuming equilibrium with water pressure at depth). These estimates are strictly based on the surface elevation (used to account for minor variations in atmospheric pressure) and the length of the water column above the sample intake point (pressure head). They do not consider capillary pressure, differences between hydrostatic pressure and the in-situ water pressure (e.g., confined aquifers), or the potential contribution of other gases not measured by Isotech. The effect of increasing pressure on gas solubility is assumed to be linear. The ratio of the Sample TDGP to the Max Surface TDGP and Max In-Situ TDGP can inform the degree of gas saturation (and the possible presence of effervescence) at surface or at depth under water pressure. "]
[]
["Saturation Concentrations of Gases in a Multi-Component Gas Mixture"]
["Information on the saturation concentration (in mg L-1) of individual gas components in groundwater can also inform the potential presence of effervescence in a sample. Note that the presence of more than one gas will reduce the saturation concentration of each component accordingly. Key factors affecting individual gas saturation concentrations therefore include: the presence of multiple gases, the Henry's law constant of each gas component at a given temperature, the pressure imparted by an overlying column of water, and the atmospheric pressure (estimated here based on elevation). Other factors affecting gas saturation concentration, such as salinity, have smaller relative effects in most groundwater samples, and thus are not considered here. This Toolkit calculates the saturation concentration of each gas component at: 1) surface elevation (\"Surface Sat Conc\") and at 2) the depth of water intake below a column of water (\"In-Situ Sat Conc\"). For these calculations, the calculated dissolved gas pressures in each sample are simply scaled up or down to match surface or in-situ pressure conditions. Specifically, the \"Surface Sat Conc\" represents a saturation concentration in equilibrium with a lower estimated pressure at surface, while the \"In-Situ Sat Conc' represents a saturation concentration in equilibrium with a higher estimated pressure at depth. Saturation concentrations (in mg L-1) of individual gas components are then calculated using Henry's law, assuming a reported or estimated groundwater temperature."]
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["Calculations"]
["1) Dissolved Gas Concentration "]
["The Henry's law constant (Hi) [mol m-3 Pa-1] at a given temperature T [K] is calculated according to the Van't Hoff equation:"]
[]
[null,"where Hi0 is the Henry's law constant at a reference temperature T0 (298.15K), ΔsolHi is the molar enthalpy of dissolution [J mol-1], and R is the gas constant [J mol-1 K-1]. Values for H0 and (ΔsolHi)/R are provided in the \"Constants & Variables\" tab."]
["The helium dilution factor (D) is equal to the mole fraction (yHe) of helium in the headspace of the IsoFlask. This is used to normalize the headspace percentage of each gas (%HSi) as follows:"]
[]
[]
[null,"where yi is the mole fraction of any component i."]
["The partial pressure of each gas in the headspace (pi) [Pa] is then calculated as:"]
[]
[null,"where Patm [Pa] is the atmospheric pressure."]
["The total number of moles of each component (ni) in the IsoFlask container is then calculated as the sum of moles in the gas (nig) and moles in the water (niw) at equilibrum:"]
[]
[null,"where Vg is the volume of gas [m3], R is the molar gas constant [m3 Pa mol-1 K-1], Vw is the volume of water [m3], ρw is the density of water [g m-3], and mw is the mass of water [g]."]
["Because all moles of gas are considered to have originated from the dissolved phase, the molar dissolved concentration (Ci) [mol L-1] is calculated as: "]
[]
["The molar concentration is converted to a mass dissolved concentration (ci) [mg L-1] as follows:"]
[]
[null,"where MWi is the molar mass of component I [g mol-1]. "]
["2) Dissolved Gas Pressure"]
["Based on groundwater temperature at the time of sampling (known or estimated), the Henry's law constant for each individual dissolved gas component at groundwater temperature (Hi-GW) (as opposed to temperature at the time of analysis) can be calculated according to the Van't Hoff equation above, where T = TGW."]
["The dissolved gas pressure (p'i) [Pa],can then be calculated as follows: "]
[]
["3) Total Dissolved Gas Pressure"]
["Total dissolved gas pressure (TDGP) (Pa) of a sample is calculated by summing the dissolved gas pressures of all gas components in a sample according to Dalton's law:"]
[]
["The maximum possible surface TDGP is equal to atmospheric pressure (Patm) [Pa], as a function of sampling elevation (h) [m msl], calculated as follows:"]
[]
[null,"Note: if no surface elevation is provided, this Toolkit assumes sea level."]
["The maximum possible in-situ TDGP [Pa, at the depth of groundwater intake] can be calculated if the pressure head (H) [m] is known:"]
[]
["5) Saturation Concentration of Each Individual Dissolved Gas Component"]
["The saturation concentration of each individual dissolved gas component (mg L-1) at surface or at the the depth of water intake in the aquifer is calculated based on the dissolved gas pressures of each gas component in a sample (p'i), the Henry's law constant for each gas component at a given groundwater temperature (H𝑖−GW), and the maximum possible TDGP at surface or at the depth of water intake, as follows:"]
[]
[]
["Additional Information"]
["-","Difference in Dissolved Gas Concentrations Reported by Isotech and those Calculated in this Toolkit"]
[null,"Dissolved gas concentrations calculated in this Toolkit may differ from those of Isotech by a small margin (typically 3% or less). While both calculate Henry's law constants using the Van't Hoff equation, the difference in dissolved gas concentrations is attributable to slightly different calculation approaches and rounding of variables."]
["-","Calculations of CO2 Dissolved Concentrations in this Toolkit"]
[null,"For the purposes of this Toolkit, aqeuous CO2 concentrations are directly related to the concentration of CO2 in the headspace of the IsoFlask through Henry's law (based on conditions at the time of analysis). However, the user should be aware that carbonate speciation (e.g., H2CO3-, HCO3-, CO32-) is strongly dependent on pH. Note that because H2CO3- quickly dissociates in water, the concentration of CO2 is assumed to be approximately equivalent to that of H2CO3-. If pH remains constant from a) the depth of water intake, to b) conditions at the surface where the sample is collected, to c) conditions in the laboratory where the sample is analyzed, concentrations of aqueous CO2 (H2CO3-) should also remain constant. However, if pH changes during this process, dissolved CO2 concentrations may also change. These data should therefore be utilized at the user's discretion. "]
["-","Calculations of C5-C6+ Dissolved Concentrations in this Toolkit"]
[null,"Isotech reports concentrations of C6 and heavier hydrocarbons as a single combined measurement \"C6+\". For the purposes of calculations based on Henry's law in this Toolkit, aqueous concentrations of C6+ are assumed to be primarily comprised of C6. Aqueous concentrations of both C5 and C6 are directly related to the concentration of these constituents in the headspace of the IsoFlask through Henry's law."]
["References"]
[null,"1) Ashmore, N.A., Van De Ven, C.J.C., Molofsky, L.J., and K.G. Mumford. 2021. Calculation of gas ratios for use in stray gas migration investigation and characterization. \n    Groundwater Journal. In Press"]
[null,"2) Sander, R. 2015. “Compilation of Henry’s Law Constants (Version 4.0) for Water as Solvent.” Atmospheric Chemistry and Physics 15 (8): 4399–4981.\n    https://doi.org/10.5194/acp-15-4399-2015."]
["How to Cite this Toolkit:"]
[null,"GSI DE-GAS Toolkit. Version 1. August 2021. N.A. Ashmore, L.J. Molofsky, B.A. Strasert, J.A. Connor and S.D. Richardson. "]

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[]
["DE-GAS Toolkit"]
[]
["Isotech Data Entry"]
[]
["Color Legend"]
["Data Entry"]
["Previously Inputted Data"]
["Dropdown Menu"]
["Intermediate Calculation"]
["Result"]
[]
["Isotech ","Sample","Sample","Sample","Field",null,"Sampling","GC","He","H2","Ar","O2","CO2","N2","CO","C1","C2","C2H4","C3","C3H6","iC4","nC4","iC5","nC5","C6+","MS","δ13C-C1","δ2H-C1","δ13C-C2","δ13C-C3","δ13C-CO2","Vacuum","Dissolved CH4",null,"Dissolved C2H6",null,"Dissolved C3H8",null,"Dissolved N2",null,"Dissolved Ar",null,"Dissolved O2",null,"Helium dilution","Headspace Vol.","Mass of Water","Atm. Press.","Sample Temp."]
["Lab No.","Name","Date","Time","Name","Location","Point","Date","(%)","(%)","(%)","(%)","(%)","(%)","(%)","(%)","(%)","(%)","(%)","(%)","(%)","(%)","(%)","(%)","(%)","Date","(‰)","(‰)","(‰)","(‰)","(‰)","Distilled?**","(cc/L)","(mg/L)","(cc/L)","(mg/L)","(cc/L)","(mg/L)","(cc/L)","(mg/L)","(cc/L)","(mg/L)","(cc/L)","(mg/L)","factor","(mL)","(g)","(atm)"," (°C)","Comments"]
[]
[]
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[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Ethane carbon isotope data obtained online via GC-C-IRMS."]
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{"sheet":"Dissolved Gas Pressure Calcs","index":5,"n_rows":314,"n_cols":65,"rows_kept":139,"cut":true,"hidden":false,"merged":[],"bounds":{"rows_first":62,"rows_last":15,"rows_between":62,"halvings":5}}
[]
["DE-GAS Toolkit"]
[]
["Intermediate Calculations: Dissolved Gas Pressures "]
[]
["Color Legend"]
["Data Entry"]
["Previously Inputted Data"]
["Dropdown Menu"]
["Intermediate Calculation"]
["Result"]
[]
["Isotech ","Sample","Sample","Sample Display","Sample","Field",null,"T (K)","Henry's Law Constants at Groundwater Temperature (mol m-3 Pa-1)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Dissolved Gas Pressures (pi) (Pa)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Dissolved Gas Pressures (pi) (atm)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Total Dissolved Gas Pressure (TDGP)",null,"Max Sample TDGP",null,"Max In-Situ TDGP"]
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[]
["DE-GAS Toolkit"]
[]
["Intermediate Calculations: Dissolved Gas Concentrations"]
[]
["Color Legend"]
["Data Entry"]
["Previously Inputted Data"]
["Dropdown Menu"]
["Intermediate Calculation"]
["Result"]
[]
["Isotech ","Sample","Sample","Sample Display","T (K)","Henry's Law Constants at Sample Temperature (mol m-3 Pa-1)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Dissolved Gas Concentrations (mg L-1)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Dissolved Gas Concentrations (mol L-1)"]
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{"sheet":"Saturation Concentration Calcs","index":7,"n_rows":314,"n_cols":41,"rows_kept":139,"cut":true,"hidden":false,"merged":[],"bounds":{"rows_first":62,"rows_last":15,"rows_between":62,"halvings":5}}
[]
["DE-GAS Toolkit"]
[]
["Intermediate Calculations: Gas Saturation Concentrations"]
[]
["Color Legend"]
["Data Entry"]
["Previously Inputted Data"]
["Dropdown Menu"]
["Intermediate Calculation"]
["Result"]
[]
["Isotech ","Sample","Sample","Sample Display","Sample","Field",null,"Surface Saturation Concentration (mg L-1)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"In-Situ Saturation Concentration (mg L-1)"]
["Lab No.","Name","Date","Name","Time","Name","Location","He","H2","Ar","O2","CO2","N2","CO","C1","C2","C2H4","C3","C3H6","iC4","nC4","iC5","nC5","C6+","He","H2","Ar","O2","CO2","N2","CO","C1","C2","C2H4","C3","C3H6","iC4","nC4","iC5","nC5","C6+"]
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[]
["DE-GAS Toolkit"]
[]
["Tabulated Results",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Dissolved Gas Pressures (p'ᵢ) (Pa)"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Select Numerator and Denominator for ratios of interest from dropdowns highlighted in orange.",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Dissolved Gas Pressures (p'ᵢ) (atm)"]
["Color Legend"]
["Data Entry",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Numerator","C1",null,null,"Numerator","Ar",null,null,"Numerator","CO₂",null,null,"Numerator","(C1+C2+C3+C4+C5)"]
["Previously Inputted Data",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Denominator","(C1+C2)",null,null,"Denominator","O₂",null,null,"Denominator","C2",null,null,"Denominator","(C2+C3+C4+C5)"]
["Dropdown Menu"]
["Intermediate Calculation",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Calculated ratios are shown below highlighted in blue."]
["Result",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Select units for pressure results from dropdowns highlighted in orange."]
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Concentration Calcs'!AC15","v":""},{"$f":"'Saturation Concentration Calcs'!AD15","v":""},{"$f":"'Saturation Concentration Calcs'!AE15","v":""},{"$f":"'Saturation Concentration Calcs'!AF15","v":""},{"$f":"'Saturation Concentration Calcs'!AG15","v":""},{"$f":"'Saturation Concentration Calcs'!AH15","v":""},{"$f":"'Saturation Concentration Calcs'!AI15","v":""},{"$f":"'Saturation Concentration Calcs'!AJ15","v":""},{"$f":"'Saturation Concentration Calcs'!AK15","v":""},{"$f":"'Saturation Concentration Calcs'!AL15","v":""},{"$f":"'Saturation Concentration Calcs'!AM15","v":""},{"$f":"'Saturation Concentration Calcs'!AN15","v":""},{"$f":"'Saturation Concentration Calcs'!AO15","v":""},{"$f":"IF('Dissolved Gas Pressure Calcs'!Z15=\"nd\",\"nd\",IF('Dissolved Gas Pressure Calcs'!Z15=\"\",\"\",IF($CC$13=$DQ$4,'Dissolved Gas Pressure Calcs'!Z15,'Dissolved Gas Pressure Calcs'!Z15/101325)))","v":""},{"$f":"IF('Dissolved Gas Pressure Calcs'!AA15=\"nd\",\"nd\",IF('Dissolved Gas Pressure 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Calcs'!Z232","v":""},{"$f":"'Saturation Concentration Calcs'!AA232","v":""},{"$f":"'Saturation Concentration Calcs'!AB232","v":""},{"$f":"'Saturation Concentration Calcs'!AC232","v":""},{"$f":"'Saturation Concentration Calcs'!AD232","v":""},{"$f":"'Saturation Concentration Calcs'!AE232","v":""},{"$f":"'Saturation Concentration Calcs'!AF232","v":""},{"$f":"'Saturation Concentration Calcs'!AG232","v":""},{"$f":"'Saturation Concentration Calcs'!AH232","v":""},{"$f":"'Saturation Concentration Calcs'!AI232","v":""},{"$f":"'Saturation Concentration Calcs'!AJ232","v":""},{"$f":"'Saturation Concentration Calcs'!AK232","v":""},{"$f":"'Saturation Concentration Calcs'!AL232","v":""},{"$f":"'Saturation Concentration Calcs'!AM232","v":""},{"$f":"'Saturation Concentration Calcs'!AN232","v":""},{"$f":"'Saturation Concentration Calcs'!AO232","v":""},{"$f":"IF('Dissolved Gas Pressure Calcs'!Z232=\"nd\",\"nd\",IF('Dissolved Gas Pressure Calcs'!Z232=\"\",\"\",IF($CC$13=$DQ$4,'Dissolved Gas Pressure 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Calcs'!Z314,'Dissolved Gas Pressure Calcs'!Z314/101325)))","v":""},{"$f":"IF('Dissolved Gas Pressure Calcs'!AA314=\"nd\",\"nd\",IF('Dissolved Gas Pressure Calcs'!AA314=\"\",\"\",IF($CC$13=$DQ$4,'Dissolved Gas Pressure Calcs'!AA314,'Dissolved Gas Pressure Calcs'!AA314/101325)))","v":""},{"$f":"IF('Dissolved Gas Pressure Calcs'!AB314=\"nd\",\"nd\",IF('Dissolved Gas Pressure Calcs'!AB314=\"\",\"\",IF($CC$13=$DQ$4,'Dissolved Gas Pressure Calcs'!AB314,'Dissolved Gas Pressure Calcs'!AB314/101325)))","v":""},{"$f":"IF('Dissolved Gas Pressure Calcs'!AC314=\"nd\",\"nd\",IF('Dissolved Gas Pressure Calcs'!AC314=\"\",\"\",IF($CC$13=$DQ$4,'Dissolved Gas Pressure Calcs'!AC314,'Dissolved Gas Pressure Calcs'!AC314/101325)))","v":""},{"$f":"IF('Dissolved Gas Pressure Calcs'!AD314=\"nd\",\"nd\",IF('Dissolved Gas Pressure Calcs'!AD314=\"\",\"\",IF($CC$13=$DQ$4,'Dissolved Gas Pressure Calcs'!AD314,'Dissolved Gas Pressure Calcs'!AD314/101325)))","v":""},{"$f":"IF('Dissolved Gas Pressure 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Calcs'!AN314=\"nd\",\"nd\",IF('Dissolved Gas Pressure Calcs'!AN314=\"\",\"\",IF($CC$13=$DQ$4,'Dissolved Gas Pressure Calcs'!AN314,'Dissolved Gas Pressure Calcs'!AN314/101325)))","v":""},{"$f":"IF('Dissolved Gas Pressure Calcs'!AO314=\"nd\",\"nd\",IF('Dissolved Gas Pressure Calcs'!AO314=\"\",\"\",IF($CC$13=$DQ$4,'Dissolved Gas Pressure Calcs'!AO314,'Dissolved Gas Pressure Calcs'!AO314/101325)))","v":""},{"$f":"IF('Dissolved Gas Pressure Calcs'!AP314=\"nd\",\"nd\",IF('Dissolved Gas Pressure Calcs'!AP314=\"\",\"\",IF($CC$13=$DQ$4,'Dissolved Gas Pressure Calcs'!AP314,'Dissolved Gas Pressure Calcs'!AP314/101325)))","v":""},{"$f":"IF('Dissolved Gas Pressure Calcs'!BH314=\"nd\",\"nd\",IF('Dissolved Gas Pressure Calcs'!BH314=\"\",\"\",IF(CT$14=\"(Pa)\",'Dissolved Gas Pressure Calcs'!BH314,'Dissolved Gas Pressure Calcs'!BH314/101325)))","v":""},{"$f":"IFERROR(IF(CU$14=\"(Pa)\",'Dissolved Gas Pressure Calcs'!BJ314,'Dissolved Gas Pressure Calcs'!BJ314/101325),0)","v":""},{"$f":"IFERROR(IF(CV$14=\"(Pa)\",'Dissolved Gas Pressure Calcs'!BL314,'Dissolved Gas Pressure Calcs'!BL314/101325),0)","v":""},{"$f":"IF(ISBLANK('Isotech Data Entry'!$A314),\"\",IF(OR(INDEX($DN314:$EL314,MATCH($CW$7,$DN$14:$EL$14,0))=\"nd\",INDEX($DN314:$EL314,MATCH($CW$8,$DN$14:$EL$14,0))=\"nd\",INDEX($DN314:$EL314,MATCH($CW$7,$DN$14:$EL$14,0))=\"nd or na\",INDEX($DN314:$EL314,MATCH($CW$8,$DN$14:$EL$14,0))=\"nd or na\",INDEX($DN314:$EL314,MATCH($CW$7,$DN$14:$EL$14,0))=\"\",INDEX($DN314:$EL314,MATCH($CW$8,$DN$14:$EL$14,0))=\"\"),\"nd or na value\",INDEX($DN314:$EL314,MATCH($CW$7,$DN$14:$EL$14,0))/INDEX($DN314:$EL314,MATCH($CW$8,$DN$14:$EL$14,0))))","v":""},{"$f":"IF(ISBLANK('Isotech Data Entry'!$A314),\"\",IF(OR(INDEX($EM314:$FK314,MATCH($CW$7,$EM$14:$FK$14,0))=\"nd\",INDEX($EM314:$FK314,MATCH($CW$8,$EM$14:$FK$14,0))=\"nd\",INDEX($EM314:$FK314,MATCH($CW$7,$EM$14:$FK$14,0))=\"nd or na\",INDEX($EM314:$FK314,MATCH($CW$8,$EM$14:$FK$14,0))=\"nd or na\",INDEX($EM314:$FK314,MATCH($CW$7,$EM$14:$FK$14,0))=\"\",INDEX($EM314:$FK314,MATCH($CW$8,$EM$14:$FK$14,0))=\"\"),\"nd or na value\",INDEX($EM314:$FK314,MATCH($CW$7,$EM$14:$FK$14,0))/INDEX($EM314:$FK314,MATCH($CW$8,$EM$14:$FK$14,0))))","v":""},{"$f":"IF(ISBLANK('Isotech Data Entry'!$A314),\"\",IF(OR(INDEX($FL314:$GJ314,MATCH($CW$7,$FL$14:$GJ$14,0))=\"nd\",INDEX($FL314:$GJ314,MATCH($CW$8,$FL$14:$GJ$14,0))=\"nd\",INDEX($FL314:$GJ314,MATCH($CW$7,$FL$14:$GJ$14,0))=\"nd or na\",INDEX($FL314:$GJ314,MATCH($CW$8,$FL$14:$GJ$14,0))=\"nd or na\",INDEX($FL314:$GJ314,MATCH($CW$7,$FL$14:$GJ$14,0))=\"\",INDEX($FL314:$GJ314,MATCH($CW$8,$FL$14:$GJ$14,0))=\"\"),\"nd or na value\",INDEX($FL314:$GJ314,MATCH($CW$7,$FL$14:$GJ$14,0))/INDEX($FL314:$GJ314,MATCH($CW$8,$FL$14:$GJ$14,0))))","v":""},{"$f":"IF(ISBLANK('Isotech Data 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value\",INDEX($DN314:$EL314,MATCH($DA$7,$DN$14:$EL$14,0))/INDEX($DN314:$EL314,MATCH($DA$8,$DN$14:$EL$14,0))))","v":""},{"$f":"IF(ISBLANK('Isotech Data Entry'!$A314),\"\",IF(OR(INDEX($EM314:$FK314,MATCH($DA$7,$EM$14:$FK$14,0))=\"nd\",INDEX($EM314:$FK314,MATCH($DA$8,$EM$14:$FK$14,0))=\"nd\",INDEX($EM314:$FK314,MATCH($DA$7,$EM$14:$FK$14,0))=\"nd or na\",INDEX($EM314:$FK314,MATCH($DA$8,$EM$14:$FK$14,0))=\"nd or na\",INDEX($EM314:$FK314,MATCH($DA$7,$EM$14:$FK$14,0))=\"\",INDEX($EM314:$FK314,MATCH($DA$8,$EM$14:$FK$14,0))=\"\"),\"nd or na value\",INDEX($EM314:$FK314,MATCH($DA$7,$EM$14:$FK$14,0))/INDEX($EM314:$FK314,MATCH($DA$8,$EM$14:$FK$14,0))))","v":""},{"$f":"IF(ISBLANK('Isotech Data Entry'!$A314),\"\",IF(OR(INDEX($FL314:$GJ314,MATCH($DA$7,$FL$14:$GJ$14,0))=\"nd\",INDEX($FL314:$GJ314,MATCH($DA$8,$FL$14:$GJ$14,0))=\"nd\",INDEX($FL314:$GJ314,MATCH($DA$7,$FL$14:$GJ$14,0))=\"nd or na\",INDEX($FL314:$GJ314,MATCH($DA$8,$FL$14:$GJ$14,0))=\"nd or na\",INDEX($FL314:$GJ314,MATCH($DA$7,$FL$14:$GJ$14,0))=\"\",INDEX($FL314:$GJ314,MATCH($DA$8,$FL$14:$GJ$14,0))=\"\"),\"nd or na value\",INDEX($FL314:$GJ314,MATCH($DA$7,$FL$14:$GJ$14,0))/INDEX($FL314:$GJ314,MATCH($DA$8,$FL$14:$GJ$14,0))))","v":""},{"$f":"IF(ISBLANK('Isotech Data Entry'!$A314),\"\",IF(OR(INDEX($GK314:$HI314,MATCH($DA$7,$GK$14:$HI$14,0))=\"nd\",INDEX($GK314:$HI314,MATCH($DA$8,$GK$14:$HI$14,0))=\"nd\",INDEX($GK314:$HI314,MATCH($DA$7,$GK$14:$HI$14,0))=\"nd or na\",INDEX($GK314:$HI314,MATCH($DA$8,$GK$14:$HI$14,0))=\"nd or na\",INDEX($GK314:$HI314,MATCH($DA$7,$GK$14:$HI$14,0))=\"\",INDEX($GK314:$HI314,MATCH($DA$8,$GK$14:$HI$14,0))=\"\"),\"nd or na value\",INDEX($GK314:$HI314,MATCH($DA$7,$GK$14:$HI$14,0))/INDEX($GK314:$HI314,MATCH($DA$8,$GK$14:$HI$14,0))))","v":""},{"$f":"IF(ISBLANK('Isotech Data 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value\",INDEX($EM314:$FK314,MATCH($DE$7,$EM$14:$FK$14,0))/INDEX($EM314:$FK314,MATCH($DE$8,$EM$14:$FK$14,0))))","v":""},{"$f":"IF(ISBLANK('Isotech Data Entry'!$A314),\"\",IF(OR(INDEX($FL314:$GJ314,MATCH($DE$7,$FL$14:$GJ$14,0))=\"nd\",INDEX($FL314:$GJ314,MATCH($DE$8,$FL$14:$GJ$14,0))=\"nd\",INDEX($FL314:$GJ314,MATCH($DE$7,$FL$14:$GJ$14,0))=\"nd or na\",INDEX($FL314:$GJ314,MATCH($DE$8,$FL$14:$GJ$14,0))=\"nd or na\",INDEX($FL314:$GJ314,MATCH($DE$7,$FL$14:$GJ$14,0))=\"\",INDEX($FL314:$GJ314,MATCH($DE$8,$FL$14:$GJ$14,0))=\"\"),\"nd or na value\",INDEX($FL314:$GJ314,MATCH($DE$7,$FL$14:$GJ$14,0))/INDEX($FL314:$GJ314,MATCH($DE$8,$FL$14:$GJ$14,0))))","v":""},{"$f":"IF(ISBLANK('Isotech Data Entry'!$A314),\"\",IF(OR(INDEX($GK314:$HI314,MATCH($DE$7,$GK$14:$HI$14,0))=\"nd\",INDEX($GK314:$HI314,MATCH($DE$8,$GK$14:$HI$14,0))=\"nd\",INDEX($GK314:$HI314,MATCH($DE$7,$GK$14:$HI$14,0))=\"nd or na\",INDEX($GK314:$HI314,MATCH($DE$8,$GK$14:$HI$14,0))=\"nd or na\",INDEX($GK314:$HI314,MATCH($DE$7,$GK$14:$HI$14,0))=\"\",INDEX($GK314:$HI314,MATCH($DE$8,$GK$14:$HI$14,0))=\"\"),\"nd or na value\",INDEX($GK314:$HI314,MATCH($DE$7,$GK$14:$HI$14,0))/INDEX($GK314:$HI314,MATCH($DE$8,$GK$14:$HI$14,0))))","v":""},{"$f":"IF(ISBLANK('Isotech Data Entry'!$A314),\"\",IF(OR(INDEX($DN314:$EL314,MATCH($DI$7,$DN$14:$EL$14,0))=\"nd\",INDEX($DN314:$EL314,MATCH($DI$8,$DN$14:$EL$14,0))=\"nd\",INDEX($DN314:$EL314,MATCH($DI$7,$DN$14:$EL$14,0))=\"nd or na\",INDEX($DN314:$EL314,MATCH($DI$8,$DN$14:$EL$14,0))=\"nd or na\",INDEX($DN314:$EL314,MATCH($DI$7,$DN$14:$EL$14,0))=\"\",INDEX($DN314:$EL314,MATCH($DI$8,$DN$14:$EL$14,0))=\"\"),\"nd or na value\",INDEX($DN314:$EL314,MATCH($DI$7,$DN$14:$EL$14,0))/INDEX($DN314:$EL314,MATCH($DI$8,$DN$14:$EL$14,0))))","v":""},{"$f":"IF(ISBLANK('Isotech Data 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value\",INDEX($FL314:$GJ314,MATCH($DI$7,$FL$14:$GJ$14,0))/INDEX($FL314:$GJ314,MATCH($DI$8,$FL$14:$GJ$14,0))))","v":""},{"$f":"IF(ISBLANK('Isotech Data Entry'!$A314),\"\",IF(OR(INDEX($GK314:$HI314,MATCH($DI$7,$GK$14:$HI$14,0))=\"nd\",INDEX($GK314:$HI314,MATCH($DI$8,$GK$14:$HI$14,0))=\"nd\",INDEX($GK314:$HI314,MATCH($DI$7,$GK$14:$HI$14,0))=\"nd or na\",INDEX($GK314:$HI314,MATCH($DI$8,$GK$14:$HI$14,0))=\"nd or na\",INDEX($GK314:$HI314,MATCH($DI$7,$GK$14:$HI$14,0))=\"\",INDEX($GK314:$HI314,MATCH($DI$8,$GK$14:$HI$14,0))=\"\"),\"nd or na value\",INDEX($GK314:$HI314,MATCH($DI$7,$GK$14:$HI$14,0))/INDEX($GK314:$HI314,MATCH($DI$8,$GK$14:$HI$14,0))))","v":""}]

{"sheet":"Constants & Variables","index":9,"n_rows":33,"n_cols":120,"rows_kept":33,"cut":false,"hidden":false,"merged":[[29,1,30,1],[10,1,26,1]]}
[]
["DE-GAS Toolkit"]
[]
["Constants & Variables",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Dissolved Gas Pressures (p'ᵢ) (Pa)"]
[]
[]
[null,"Constants",null,null,null,null,null,null,"Variables",null,null,null,"Acronyms"]
[null,"Henry's law constants and enthalpy of dissolution values for use in the Van't Hoff equation provided in Sander (2015)."]
[]
[null,null,"Symbol","Name","Hcp\n(mol m-3 Pa-1)","dlnH/d\n(1/T)","Molecular Weight\n(g mol-1)",null,"Symbol","Unit(s)","Description",null,"Acronym","Term"]
[null,"Gas","H2","Hydrogen",7.7000000000000008E-6,500,2.0158800000000001,null,"%HSi","-","Headspace gas percentage of component i",null,"°C","Celsius"]
[null,null,"He","Helium",3.8E-6,103,4.0026000000000002,null,"ci","mg L-1","Mass dissolved concentration of component i",null,"°F","Fahrenheit"]
[null,null,"Ar","Argon",1.4E-5,1500,39.948,null,"Ci","mg L-1","Molar dissolved concentration of component i",null,"AMO","Aqueous molar ratio"]
[null,null,"O2","Oxygen",1.2999999999999999E-5,1500,31.998799999999999,null,"D","-","Helium dilution factor",null,"AMS","Aqueous mass ratio"]
[null,null,"N2","Nitrogen",6.3999999999999997E-6,1300,28.013400000000001,null,"Hi","mol m-3 Pa-1","Henry's law constant of component i",null,"atm","Standard atmosphere"]
[null,null,"CO","Carbon Monoxide",9.7000000000000003E-6,1300,28.010400000000001,null,"Hi,GW","mol m-3 Pa-1","Henry's law constant of component i at groundwater temperature",null,"bgs","Below ground surface"]
[null,null,"CO2","Carbon Dioxide",3.3E-4,2400,44.009799999999998,null,"Hi0","mol m-3 Pa-1","Henry's law constant of component i at reference temperature",null,"cc","Cubic centimeters"]
[null,null,"C1","Methane",1.4E-5,1600,16.0428,null,"Miw","g mol-1","Molar mass of component i",null,"DGP","Dissolved gas pressure ratio"]
[null,null,"C2","Ethane",1.9000000000000001E-5,2400,30.069600000000001,null,"mw","g","Mass of water",null,"ft","Foot"]
[null,null,"C3","Propane",1.5E-5,2700,44.097000000000001,null,"ni","- ","Total moles of component i",null,"g","Gram"]
[null,null,"nC4","Butane",1.2E-5,3100,58.122999999999998,null,"nig","-","Total moles of component i in the gaseous phase",null,"GC","Gas chromatograph"]
[null,null,"iC4","2-Methyl propane (Isobutane)",9.0999999999999993E-6,2700,58.122999999999998,null,"niw","-","Total moles of component i in the aqueous phase",null,"HS","IsoFlask headspace ratio"]
[null,null,"C2H4","Ethene",5.8999999999999998E-5,2200,28.05,null,"Patm","Pa or atm","Atmospheric pressure",null,"K","Kelvin"]
[null,null,"C3H6","Propylene",5.3999999999999998E-5,3100,42.08,null,"pi","Pa or atm","Partial pressure of component i",null,"L","Liter"]
[null,null,"iC5","Isopentane",7.1999999999999997E-6,3200,72.150000000000006,null,"T","K","Temperature",null,"m","Meter"]
[null,null,"nC5","Pentane",7.9999999999999996E-6,3400,72.150000000000006,null,"T0","K","Reference temperature",null,"mg","Milligram"]
[null,null,"C6+","Hexane",6.1E-6,3800,86.16,null,"TGW","K","Groundwater temperature",null,"mol","Mole"]
[null,null,null,null,null,null,null,null,"Vg","m3","Volume of gas",null,"MS","Mass spectrometry"]
[null,null,"Symbol","Name","Symbol","Value","Units",null,"Vw","m3","Volume of water",null,"msl","Above mean sea level"]
[null,"Other Constants","R","Molar Gas Constant","R",8.3145000000000007,"m3 Pa mol-1 K-1",null,"yi","-","Mole fraction of component i",null,"na","Not analyzed"]
[null,null,"ρw","Density of Water at 24°C","ρ𝑤","997 000","g m-3",null,"Δsol Hi","J mol-1","Molar enthalpy of dissolution of component i",null,"nd","Not detected"]
[null,null,null,null,null,null,null,null,null,null,null,null,"Pa","Pascal"]
[null,null,null,null,null,null,null,null,null,null,null,null,"TDGP","Total dissolved gas pressure"]