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Formatting changes to README.Rmd. See Issue NEONScience#3.
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jbeaulie committed Oct 4, 2017
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24 changes: 12 additions & 12 deletions neonDissGas/README.Rmd
Original file line number Diff line number Diff line change
Expand Up @@ -34,25 +34,25 @@ The following applies to gas<sub>i</sub>, where gas<sub>i</sub> is equal to CH<s

1. The gas constant, R, equals 8.3144598 L kPa K<sup>-1</sup> mol<sup>-1</sup>
2. The dissolved gas concentration in the original water sample is calculated from a mass balance of the headspace equilibration system:<img src="eq_1.png" width="650px" />
- _C<sub>gas<sub>i</sub></sub>water_ is the concentration of gas<sub>i</sub> dissolved in the original water sample.
- _C<sub>gas<sub>i</sub></sub>water_ is the concentration (mol L<sup>-1</sup>),of gas<sub>i</sub> dissolved in the original water sample.
- _mol<sub>gas<sub>i</sub></sub>wat_ is the total moles of gas<sub>i</sub> dissolved in the original water sample.
- _mol<sub>gas<sub>i</sub></sub>aireq_ is the total moles of gas<sub>i</sub> in the equilibrated headspace gas.
- _mol<sub>gas<sub>i</sub></sub>wateq_ is the total moles of gas<sub>i</sub> in the equilibrated water sample.
- _mol<sub>gas<sub>i</sub></sub>air_ is the total moles of gas<sub>i</sub> in the gas used for the headspace equilibrium. If a pure gas, such as helium or nitrogen, is used as the headspace gas, then mol<sub>gas<sub>i</sub></sub>air = 0. If a mixed gas, such as ambient air, is used as the headspace gas, the term mol<sub>gas<sub>i</sub></sub>air corrects the calculation for any amount of gas<sub>i</sub> contained in the headspace gas.
- _mol<sub>gas<sub>i</sub></sub>air_ is the total moles of gas<sub>i</sub> in the gas used for the headspace equilibrium. If a pure gas, such as helium or nitrogen, is used as the headspace gas, then mol<sub>gas<sub>i</sub></sub>air = 0. If a mixed gas, such as ambient air, is used as the reference gas, the term mol<sub>gas<sub>i</sub></sub>air corrects the calculation for any amount of gas<sub>i</sub> contained in the reference gas.
- _vol<sub>H<sub>2</sub>O</sub>_ is the volume of the original water sample.
3. mol<sub>gas<sub>i</sub></sub>air<sub>eq</sub> is calculated from the Ideal Gas Law n = <sup>PV</sup>&frasl;<sub>RT</sub>. In htis equation, P = partial pressure of gas<sub>i</sub> adn T is the temperature of the headspace equilibration system (assumed to be equal to water temperature).<img src="eq_2.png" width="450px" />
- _ppmv<sub>gas<sub>i</sub></sub>air<sub>eq</sub>_ is the measured mixing ratio of gas<sub>i</sub> in the equilibrated headspace gas.
3. mol<sub>gas<sub>i</sub></sub>aireq is calculated from the Ideal Gas Law n = <sup>PV</sup>&frasl;<sub>RT</sub>. In this equation, P = partial pressure of gas<sub>i</sub> and T is the temperature of the headspace equilibration system (assumed to be equal to the temperature of the water body).<img src="eq_2.png" width="450px" />
- _ppmv<sub>gas<sub>i</sub></sub>aireq_ is the measured mixing ratio of gas<sub>i</sub> in the equilibrated headspace gas.
- _BP_ is the barometric pressure (kPa).
- _vol<sub>air</sub>_ is the volume of air used in the headspace equilibrium (mL).
- _T_ is the temperature of the headspace system (assumed to be equal to water temperature; K).
- _10<sup>-6</sup>_ is a constant used to convert ppmv to parts.
- _vol<sub>air</sub>_ is the volume of reference gas used in the headspace equilibrium (mL).
- _T_ is the temperature of the headspace system (assumed to be equal to the temperature of the water body; K).
- _10<sup>-6</sup>_ is a constant used to convert ppmv to a unitless mole fraction.
4. mol<sub>gas<sub>i</sub></sub>air is calculated from the Ideal Gas Law, as above:<img src="eq_3.png" width="425px" />
- _ppmv<sub>gas<sub>i</sub></sub>air_ is the measured mixing ratio of gas<sub>i</sub> in the pure headspace gas (i.e., before micing with teh water sample).
5. mol<sub>gas<sub>i</sub></sub>wat<sub>eq</sub> is calculated from Henry's Law and the colume of water used int he headspace equilibration. Henry's Law states that the concentration of gas<sub>i</sub> dissolved in a water sample is equal to the product of the partial pressure of gas<sub>i</sub> in the overlyiung atmosphere (i.e., the headspace gas) and the Henry's Law Solubility Constant for gas<sub>i</sub> at the temperature of the water, H(T).<img src="eq_4.png" width="550px" />
- _10<sup>-6</sup>_ is a constant used to convert ppmv to parts.
- _H(T)_ is optained from the compilation of Sander (2015), see below.
- _ppmv<sub>gas<sub>i</sub></sub>air_ is the measured mixing ratio of gas<sub>i</sub> in the pure reference gas (i.e., before mixing with the water sample).
5. mol<sub>gas<sub>i</sub></sub>wateq is calculated from Henry's Law and the volume of water used in the headspace equilibration. Henry's Law states that the concentration of gas<sub>i</sub> dissolved in a water sample is equal to the product of the partial pressure of gas<sub>i</sub> in the overlying atmosphere (i.e., the headspace gas) and the Henry's Law Solubility Constant for gas<sub>i</sub> at the temperature of the water (H(T)).<img src="eq_4.png" width="550px" />
- _10<sup>-6</sup>_ is a constant used to convert ppmv to a unitless mole fraction.
- _H(T)_ is obtained from the compilation of Sander (2015), see below.

6. Sander (2015) provides a compilation of Henry's Law Solubility Constants standardized to 298.15 K. This standardized Henry's Law Solubility COnstant (H<sup>&Theta;</sup>) can be converted to the temperature of the headspace equilibration H(T) following:<img src="eq_5.png" width="300px" />
6. Sander (2015) provides a compilation of Henry's Law Solubility Constants standardized to 298.15 K. This standardized Henry's Law Solubility Constant (H<sup>&Theta;</sup>) can be converted to the temperature of the headspace equilibration H(T) following:<img src="eq_5.png" width="300px" />
- _T<sup>&Theta;</sup>_ is equal to 298.15 K.
- <img src="eq_4_1.png" width="50px" /> is equal to the constant provided in column <img src="eq_4_2.png" width="50px" /> in Table 6 of Sander (2015). This constant is equal to 2400 K, 1900 K, and 2700 K for CO<sub>2</sub>, CH<sub>4</sub>, and N<sub>2</sub>O, respectively.

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26 changes: 13 additions & 13 deletions neonDissGas/README.md
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@ NEON Dissolved Gas

<!-- README.md is generated from README.Rmd. Please edit that file -->
<!-- ****** Description ****** -->
This package is for calculating dissolved gas concentrations in surfac water samples from reference air and water equilibrated gas samples.
This package is for calculating dissolved gas concentrations in surface water samples from reference air and water equilibrated gas samples.

<!-- ****** Usage ****** -->
Usage
Expand All @@ -25,28 +25,28 @@ The following applies to gas<sub>i</sub>, where gas<sub>i</sub> is equal to CH<s

1. The gas constant, R, equals 8.3144598 L kPa K<sup>-1</sup> mol<sup>-1</sup>
2. The dissolved gas concentration in the original water sample is calculated from a mass balance of the headspace equilibration system:<img src="eq_1.png" width="650px" />
- *C<sub>gas<sub>i</sub></sub>water* is the concentration of gas<sub>i</sub> dissolved in the original water sample.
- *C<sub>gas<sub>i</sub></sub>water* is the concentration (mol L<sup>-1</sup>),of gas<sub>i</sub> dissolved in the original water sample.
- *mol<sub>gas<sub>i</sub></sub>wat* is the total moles of gas<sub>i</sub> dissolved in the original water sample.
- *mol<sub>gas<sub>i</sub></sub>aireq* is the total moles of gas<sub>i</sub> in the equilibrated headspace gas.
- *mol<sub>gas<sub>i</sub></sub>wateq* is the total moles of gas<sub>i</sub> in the equilibrated water sample.
- *mol<sub>gas<sub>i</sub></sub>air* is the total moles of gas<sub>i</sub> in the gas used for the headspace equilibrium. If a pure gas, such as helium or nitrogen, is used as the headspace gas, then mol<sub>gas<sub>i</sub></sub>air = 0. If a mixed gas, such as ambient air, is used as the headspace gas, the term mol<sub>gas<sub>i</sub></sub>air corrects the calculation for any amount of gas<sub>i</sub> contained in the headspace gas.
- *mol<sub>gas<sub>i</sub></sub>air* is the total moles of gas<sub>i</sub> in the gas used for the headspace equilibrium. If a pure gas, such as helium or nitrogen, is used as the headspace gas, then mol<sub>gas<sub>i</sub></sub>air = 0. If a mixed gas, such as ambient air, is used as the reference gas, the term mol<sub>gas<sub>i</sub></sub>air corrects the calculation for any amount of gas<sub>i</sub> contained in the reference gas.
- *vol<sub>H<sub>2</sub>O</sub>* is the volume of the original water sample.

3. mol<sub>gas<sub>i</sub></sub>air<sub>eq</sub> is calculated from the Ideal Gas Law n = <sup>PV</sup>⁄<sub>RT</sub>. In htis equation, P = partial pressure of gas<sub>i</sub> adn T is the temperature of the headspace equilibration system (assumed to be equal to water temperature).<img src="eq_2.png" width="450px" />
- *ppmv<sub>gas<sub>i</sub></sub>air<sub>eq</sub>* is the measured mixing ratio of gas<sub>i</sub> in the equilibrated headspace gas.
3. mol<sub>gas<sub>i</sub></sub>aireq is calculated from the Ideal Gas Law n = <sup>PV</sup>⁄<sub>RT</sub>. In this equation, P = partial pressure of gas<sub>i</sub> and T is the temperature of the headspace equilibration system (assumed to be equal to the temperature of the water body).<img src="eq_2.png" width="450px" />
- *ppmv<sub>gas<sub>i</sub></sub>aireq* is the measured mixing ratio of gas<sub>i</sub> in the equilibrated headspace gas.
- *BP* is the barometric pressure (kPa).
- *vol<sub>air</sub>* is the volume of air used in the headspace equilibrium (mL).
- *T* is the temperature of the headspace system (assumed to be equal to water temperature; K).
- *10<sup>-6</sup>* is a constant used to convert ppmv to parts.
- *vol<sub>air</sub>* is the volume of reference gas used in the headspace equilibrium (mL).
- *T* is the temperature of the headspace system (assumed to be equal to the temperature of the water body; K).
- *10<sup>-6</sup>* is a constant used to convert ppmv to a unitless mole fraction.

4. mol<sub>gas<sub>i</sub></sub>air is calculated from the Ideal Gas Law, as above:<img src="eq_3.png" width="425px" />
- *ppmv<sub>gas<sub>i</sub></sub>air* is the measured mixing ratio of gas<sub>i</sub> in the pure headspace gas (i.e., before micing with teh water sample).
- *ppmv<sub>gas<sub>i</sub></sub>air* is the measured mixing ratio of gas<sub>i</sub> in the pure reference gas (i.e., before mixing with the water sample).

5. mol<sub>gas<sub>i</sub></sub>wat<sub>eq</sub> is calculated from Henry's Law and the colume of water used int he headspace equilibration. Henry's Law states that the concentration of gas<sub>i</sub> dissolved in a water sample is equal to the product of the partial pressure of gas<sub>i</sub> in the overlyiung atmosphere (i.e., the headspace gas) and the Henry's Law Solubility Constant for gas<sub>i</sub> at the temperature of the water, H(T).<img src="eq_4.png" width="550px" />
- *10<sup>-6</sup>* is a constant used to convert ppmv to parts.
- *H(T)* is optained from the compilation of Sander (2015), see below.
5. mol<sub>gas<sub>i</sub></sub>wateq is calculated from Henry's Law and the volume of water used in the headspace equilibration. Henry's Law states that the concentration of gas<sub>i</sub> dissolved in a water sample is equal to the product of the partial pressure of gas<sub>i</sub> in the overlying atmosphere (i.e., the headspace gas) and the Henry's Law Solubility Constant for gas<sub>i</sub> at the temperature of the water (H(T)).<img src="eq_4.png" width="550px" />
- *10<sup>-6</sup>* is a constant used to convert ppmv to unitless mole fraction.
- *H(T)* is obtained from the compilation of Sander (2015), see below.

6. Sander (2015) provides a compilation of Henry's Law Solubility Constants standardized to 298.15 K. This standardized Henry's Law Solubility COnstant (H<sup>Θ</sup>) can be converted to the temperature of the headspace equilibration H(T) following:<img src="eq_5.png" width="300px" />
6. Sander (2015) provides a compilation of Henry's Law Solubility Constants standardized to 298.15 K. This standardized Henry's Law Solubility Constant (H<sup>Θ</sup>) can be converted to the temperature of the headspace equilibration H(T) following:<img src="eq_5.png" width="300px" />
- *T<sup>Θ</sup>* is equal to 298.15 K.
- <img src="eq_4_1.png" width="50px" /> is equal to the constant provided in column <img src="eq_4_2.png" width="50px" /> in Table 6 of Sander (2015). This constant is equal to 2400 K, 1900 K, and 2700 K for CO<sub>2</sub>, CH<sub>4</sub>, and N<sub>2</sub>O, respectively.

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