co2sys程序的一些资料

wikipedia, pyco2sys, matlab

中文论文中的介绍 ^{1 2}

教程

co2sys for excel tutorial

参数k1, k2

NO.	refer	description
1	Wang, 2019 3	See eq.1-3
2	Roy, et al.,1993 4	5<S<45, 0<T<45 eq.4-5
3	Goyet and Poisson, 1989 5	10<S<50, -1<T<40 eq.6-7
4	Dickson and Millero, 1987 6	2<S<35, 0<T<40
5	Millero, 1979 7
6	Telmer, 1999 8	0<T<30 eq

\[pK_{CO_2} = -7 \times 10^{-5}T^2 +0.016T +1.11 ······(1)\] \[pK_1 = 1.1 \times 10^{-4}T^2 -0.012T +6.58 ······(2)\] \[pK_2 = 9 \times 10^{-5}T^2 -0.0137T +10.62 ······(3)\] \[lnK_1=2.83655-2307.1266/T-1.5529413lnT+(-0.20760841-4.0484/T)S^{0.5}+ 0.08468345S-0.00654208S\] \[lnK_2=-9.226508-3351.6106/T-0.02005743lnT+(-0.1069011773-23.9722/T)S^{0.5}+ 0.1130822S-0.00846934S^{1.5}\] \[pK_1=812.27T+3.356-0.00171S·lnT+0.000091S^2\] \[pK_1=1450.87T+4.604-0.00385S·lnT+0.000182S^2\] \[K_{CO_2}=-2.22E^{-6}T^3-1.91E^{-5}T^2+1.63E^{-2}T+1.11\] \[K_1=1.67E^{-4}T^2-1.34E^{-2}T+6.58\] \[K_2=-2.22E^{-6}T^3+2.29E^{-4}T^2-1.62E^{-2}T+10.6\]

pyco2sys

最新版本为1.8.3

pyco2sys v1.8 ⁹

else

文献 ¹⁰，分析了十个用来碳酸盐化学计算的软件包

参考文献

1. 黄熠丽,崔婧嫄,陈思绪,等.基于藻类活动影响的湖库pH值建模[J].净水技术,2023,42(05):51-59+67.DOI:10.15890/j.cnki.jsjs.2023.05.008. ↩︎

2. 张羿.典型喀斯特河流水-气界面二氧化碳交换通量及其影响因素研究[D].贵州民族大学,2024.DOI:10.27807/d.cnki.cgzmz.2024.000626. ↩︎

3. Wang W, Li S L, Zhong J, et al. Understanding transport and transformation of dissolved inorganic carbon (DIC) in the reservoir system using δ13CDIC and water chemistry[J]. Journal of Hydrology, 2019, 574: 193-201. ↩︎

4. Roy R N, Roy L N, Vogel K M, et al. The dissociation constants of carbonic acid in seawater at salinities 5 to 45 and temperatures 0 to 45 C[J]. Marine Chemistry, 1993, 44(2-4): 249-267. ↩︎

5. Goyet C, Poisson A. New determination of carbonic acid dissociation constants in seawater as a function of temperature and salinity[J]. Deep Sea Research Part A. Oceanographic Research Papers, 1989, 36(11): 1635-1654. ↩︎

6. Dickson A G, Millero F J. A comparison of the equilibrium constants for the dissociation of carbonic acid in seawater media[J]. Deep Sea Research Part A. Oceanographic Research Papers, 1987, 34(10): 1733-1743. ↩︎

7. Millero F J. The thermodynamics of the carbonate system in seawater[J]. Geochimica et Cosmochimica Acta, 1979, 43(10): 1651-1661. ↩︎

8. Telmer K, Veizer J. Carbon fluxes, pCO2 and substrate weathering in a large northern river basin, Canada: carbon isotope perspectives[J]. Chemical Geology, 1999, 159(1-4): 61-86. ↩︎

9. Humphreys M P, Lewis E R, Sharp J D, et al. PyCO2SYS v1. 8: Marine carbonate system calculations in Python[J]. Geoscientific Model Development, 2022, 15(1): 15-43. ↩︎

10. Orr J C, Epitalon J M, Gattuso J P. Comparison of ten packages that compute ocean carbonate chemistry[J]. Biogeosciences, 2015, 12(5): 1483-1510. ↩︎