momas_benchmark.js
327e2020bb5cdatabase

momas_benchmark.js
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			// this is the database for the MoMas benchmark
			{
			"Metadata": {
			"version": "0.1",
			"last-modification": "02/11/2015"
			},
			"Basis": [
			{
			"label": "H2O",
			"molar_mass": 18.015 // g/mol
			},
			{
			"label": "X1",
			"molar_mass": 1.0
			},
			{
			"label": "X2",
			"molar_mass": 1.0
			},
			{
			"label": "X3",
			"molar_mass": 1.0
			},
			{
			"label": "X4",
			"molar_mass": 1.0
			},
			{
			"label": "X5",
			"molar_mass": 1.0
			}
			],
			"Aqueous": [
			{
			"label": "C1",
			"composition": "-X2",
			"log_k": 12
			},
			{
			"label": "C2",
			"composition": "X2, X3",
			"log_k": 0.0
			},
			{
			"label": "C3",
			"composition": "-X2, X4",
			"log_k": 0.0
			},
			{
			"label": "C4",
			"composition": "-4 X2, X3, 3 X4",
			"log_k": 1
			},
			{
			"label": "C5",
			"composition": "4 X2, 3 X3, 1 X4",
			"log_k": -35
			},
			{
			"label": "C6",
			"composition": "10 X2, 3 X3",
			"log_k": -32
			},
			{
			"label": "C7",
			"composition": "-8 X2, 2 X4",
			"log_k": 4
			}
			],
			"Sorbed": [
			{
			"label": "CS1",
			"composition": "3 X2, X3",
			"nb_sites_occupied": 1,
			"log_k": -6
			},
			{
			"label": "CS2",
			"composition": "-3 X2, X4",
			"nb_sites_occupied": 2,
			"log_k": 1
			}
			],
			"Minerals": [
			{
			"label": "CP1",
			"composition": "3 X2, X3",
			"log_k": 9.0969,
			"molar_volume": 1.0
			},
			{
			"label": "CP2",
			"composition": "X2, X5",
			"log_k": -1.30,
			"molar_volume": 1.0
			},
			{
			"label": "Cc",
			"composition": "-3 X2, X4",
			"log_k": 1.0,
			"molar_volume": 1.0,
			"flag_kinetic": 1
			}

			],
			"References" : [
			{
			"key": "Carrayrou2010",
			"description": "Carrayrou, Jérôme, Kern, Michel, Knabner, Peter: Reactive transport benchmark of MoMaS, Computational Geosciences 14(3), Springer Netherlands, 385–392, 2010"
			}
			]
			}