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CarbCalc 5e
CarbCalc 5e
It uses the cubic [H+] simplification of the carbon system, which only applies in the range of
(so it cannot be used to calculate at low and high pH values such as found in a titration).
It uses the formula for the exact solution of the cubic equation to find the pH
This speadsheet is released for your convenience without any guarantees of accur
It is intended as a tool to get carbon system estimates, but it is not intended to be a slick
nor is it intended to be an example of good spreadsheet programming. Many of the formu
Apple II spreadsheet - so don't expect it to take advantage of modern spreadsheet featur
It was devised using a Macintosh, and I don't know if everything will display properly on a P
I have tried to get these calculations right, but I am not a professional carbonate chemist n
If you find a mistake, let me know and in time I will fix the problem in future versions.
I am not willing to engage in extended discussions on how to use it or debates on the calcu
- if it isn't obvious how to use it, then don't!
Don't modify any of the cells other than the boldface blue input cells. If you do, I cannot guar
to function properly.
Instructions:
(a) Enter values for T, S, P, Total CO2, and Alkalinity in cells B6,C6,E6,G6, and H6.
(b) The main CO2 system parameters are shown in cells B11-G11. Other propertie
ven T, S, P, TotCO2, and Alkalinity inputs (boldface blue cells).
uarantees of accuracy.
tended to be a slick professional-looking piece of software,
ng. Many of the formulas were inherited from an old
n spreadsheet features.
splay properly on a PC.
carbonate chemist nor programmer, so bugs can always creep in.
future versions.
debates on the calculation scheme.
Sal, ppt T, deg C T, deg K D, m P, bar ( CO2, µmol/kg Alk, µeq/kg ---------
-------- -------- -------- -------- -------- ------------ -----------
34.700 27.000 300.15 0 1.0 1930 2290 Don't delete -->
this section!
1a epsilon CO2(gas) rel. to CO2 (aq) 1.18 source: Zhang, Quay, Wilbur GCA 59:107
1b epsilon CO2 (gas) rel. to HCO3- -6.97 source: Zhang, Quay, Wilbur GCA 59:107
1c epsilon CO2 (gas) rel. to CO3= -5.82 source: Zhang, Quay, Wilbur GCA 59:107
2 epsilon CO2(gas) rel. to CO2 (aq) -1.05 source: Vogel et al. 1970 (Z. phys. 230: 225) as computed by Mook et
3 epsilon CO2 (gas) rel to HCO3- -7.70 source: Mook et al. 1974 (EPSL 22:169-176)
4 epsilon CO2 (aq) rel. to HCO3- -8.75 source: Mook et al. 1974 (EPSL 22:169-176), by combining 2 and 3
5 epsilon CO2 (gas) rel. to CO3= -8.15 source: Lesniak and Sakai 1989 (EPSL 95:297-301)
6 epsilon CO2 (gas) rel. to CaCO3 -9.31 source: Emrich et al. 1970 (EPSL 8:363-371) (but note they excluded
Using 1a-c and 6 above: Pre-anth d13C of atm: -6.4 (280 ppmV)
epsilon CO2(aq) rel to HCO3- -8.15 1990 d13C of atm: -7.8 (350 ppmV)
epsilon CO3 rel to HCO3- -1.16 Glacial max d13C of atm: -6.9 to -7.1 (200 ppmV)
epsilon CaCO3 rel to HCO3- 2.34
Page
8.5895364E-06 H2CO3 #DIV/0!
0.0003174155 pCO2 #DIV/0! ---------
101.6 B(OH)4-
305.9 B(OH)3
407.5 sumB
omega calcite 6.4666636817
omega aragonit 4.2871828278
Page
CO3-, and B(OH)4-
this section!
Page
Don't delete -->
------------------ --------- --------- --------- --------- --------- --------- --------- ---------
->
2250 2260
204 197
227 220
254 246
285 275
319 308
359 346
405 390
459 441
522 500
597 571
Page
......... ............. ......... ......... .........
e:
2.71828
Ks_calc
Ks_arag
sumB/CO2 Alk/CO2
0.2111 1.18653
### #DIV/0!
-4.798E-24 A0 #DIV/0!
-1.585E-15 A1 #DIV/0!
2.785E-07 A2 #DIV/0!
1.1865285 A3 #DIV/0!
Q
-6.57E-15 #DIV/0!
Page
--------- --------- ------------- --------- ---------
Page
avgs and typ values
CO2 Alk
Global Ocean Avg. (@S=34.7) 2260 2375
Warm surface waters (Pre-Anth 1920 2290
Cold surface waters 2140 2310
Page 9
Revision 5b assumes that Adkins has correctly identified the following errors:
1. Temperature dependance of epsilon HCO3-gas is 0.141 in Zhang et al. (1995) but Ed has 0.1141 in spreadsh
2. In the equation for pK1_TP1S the linear salinity dependance should be 0.0068 not 0.00668
3. P dependence (column Q) of K_1 and K_2 need to have negative sign and factor of ln(10) added
X-Sender: tmarchitto@mail.whoi.edu
Mime-Version: 1.0
To: eaboyle@MIT.EDU
From: tmarchitto@whoi.edu (Tom Marchitto)
Subject: CaCO3 solubility calculation
Date: Sat, 19 Jun 1999 16:26:49 -0400
Hi Ed,
The error arises from a typo in UNESCO (1987). They give Mucci's (1983)
equation as:
log(Kspar/Kspcal)=0.0385+63.974/T
but Mucci gives it as:
log(Kspar/Kspcal)=-0.0385+63.974/T
The correct equation (with the "-") gives a value of 6.37, same as what
Mucci got, and within error of the preferred 6.35 +/-0.02. With no fudge
factor, [CO3]sat'n changes by a few umol/kg. If a new fudge factor of -0.02
is used, there is less than 1 umol/kg change.
The old fudge factors for both calcite (-0.1) and aragonite (-0.01) were
justified because the calcite pKsp value was so far off (by 0.1). But with
the correct Mucci equation, I'd argue that fudge factors are not required
(both pKsp values at 25C and S=35 are only off by 0.02, within error of the
preferred).
Tom
Mar 9, 1999:
Yair says:
While looking into the problem I noticed that your file need a minor
correction for R. It should be 83.143 rather than 82.05 when using pressure
in bars
n(10) added
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