The library of formulations
The Start tab of the studio offers formulations published in papers, each loaded with one click: every tab is then filled, and the calculation can be run at once, changed, and saved under a name of your own. Nothing is downloaded: the formulations ship with the studio, and the compositions they use are those ChemistryLab holds, with their sources, in its material templates.
Only formulations published in a paper are offered. Where an entry takes a proportion from its paper (a replacement, a water-to-binder ratio), the tests of the studio check it against the data ChemistryLab holds for that paper. The degrees of reaction are illustrative unless the entry says otherwise: set them for the age you are interested in, or let rate laws decide them.
| Formulation | What it computes | Sources |
|---|---|---|
| CEM I 52.5 N paste | one equilibrium at 28 days, w/b 0.5 | (Gruyaert et al., 2010), (Lothenbach and Winnefeld, 2006) |
| Portland cement paste, RILEM round robin | one equilibrium; its volumes are unknown, three minor oxides having no sourced density | (Durdziński et al., 2017), (Lothenbach and Winnefeld, 2006) |
| Portland cement with 40 % slag, RILEM round robin | one equilibrium of the paste PC-S1, w/b 0.4 | (Durdziński et al., 2017), (Lothenbach and Winnefeld, 2006) |
| Portland cement with 30 % siliceous fly ash, RILEM round robin | one equilibrium of the paste PC-SFA, w/b 0.4 | (Durdziński et al., 2017), (Lothenbach and Winnefeld, 2006) |
| Portland cement with 30 % siliceous fly ash in time, by rate laws | a kinetic run over 90 days, the clinker phases by the law of Parrott and Killoh (1984), the glass of the fly ash by the law of Waller (1999) with the set of Lavergne et al. (2018) | (Durdziński et al., 2017), (Lavergne et al., 2018), (Lothenbach and Winnefeld, 2006) |
| Slag cements: the replacement of a CEM I 52.5 N by slag | a path along the slag-to-binder ratios of the paper, 0 to 0.85 | (Gruyaert et al., 2010), (Lothenbach and Winnefeld, 2006) |
| Hydration of a CEM I 52.5 N in time, by rate laws | a kinetic run over 28 days, the clinker phases by the law of Parrott and Killoh (1984) with the parameters of Lavergne et al. (2018) | (Gruyaert et al., 2010), (Lavergne et al., 2018), (Lothenbach and Winnefeld, 2006) |
| CEM I 52.5 N of Lavergne et al. (2018) hydrating at w/b 0.50 | a kinetic run over 28 days of the cement of Lavergne et al. (2018), from the Bogue composition of its clinker, the clinker phases by the law of Parrott and Killoh (1984) | (Lavergne et al., 2018), (Lothenbach and Winnefeld, 2006) |
| CEM I 52.5 N of Lavergne et al. (2018) hydrating at w/b 0.32 | the same run at the lower water-to-binder ratio of their mortars, where the water left caps the hydration | (Lavergne et al., 2018), (Lothenbach and Winnefeld, 2006) |
| CEM I 52.5 N of Lavergne et al. (2018) in a semi-adiabatic cell | their mortar C100 in their cell over 3.5 days: the cement and the water of its paste, the heat capacity of the vessel, the sand and the water it absorbs, and the loss of their calibration, linear and quadratic | (Lavergne et al., 2018), (Lothenbach and Winnefeld, 2006) |
| Carbonation of a CEM I 52.5 N paste | a path of CO₂ added, up to 1 mol per 100 g of binder | (Gruyaert et al., 2010), (Lothenbach and Winnefeld, 2006) |
| Chloride binding by a CEM I 52.5 N paste, with the surface of its C-S-H | a path of NaCl added, up to 0.02 mol per 100 g of binder, with Friedel's and Kuzel's salts and the sites of Guo et al. (2018) on the C-S-H at each point | (Gruyaert et al., 2010), (Guo et al., 2018), (Lothenbach and Winnefeld, 2006) |
| Leaching of a CEM I 52.5 N paste by pure water | twelve renewals of the pore solution by 5 kg of water | (Gruyaert et al., 2010), (Lothenbach and Winnefeld, 2006) |
The phases of every entry are those Lothenbach and Winnefeld (2006) list for a Portland paste, in the thermodynamic database Cemdata18 (Lothenbach et al., 2019).