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(a) The experimental isotherm at 20 °C and simulated isotherms for (0 0 1) and (0 1 0) surfaces without defects. (b) The simulated isotherms for (0 0 1) and (0 1 0) with surface defects (denoted as <t>GCMC)</t> and the estimated isotherms using </xref> .
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(a) The experimental isotherm at 20 °C and simulated isotherms for (0 0 1) and (0 1 0) surfaces without defects. (b) The simulated isotherms for (0 0 1) and (0 1 0) with surface defects (denoted as <t>GCMC)</t> and the estimated isotherms using </xref> .
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(a) The experimental isotherm at 20 °C and simulated isotherms for (0 0 1) and (0 1 0) surfaces without defects. (b) The simulated isotherms for (0 0 1) and (0 1 0) with surface defects (denoted as <t>GCMC)</t> and the estimated isotherms using </xref> .
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(a) The experimental isotherm at 20 °C and simulated isotherms for (0 0 1) and (0 1 0) surfaces without defects. (b) The simulated isotherms for (0 0 1) and (0 1 0) with surface defects (denoted as <t>GCMC)</t> and the estimated isotherms using </xref> .
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(a) The experimental isotherm at 20 °C and simulated isotherms for (0 0 1) and (0 1 0) surfaces without defects. (b) The simulated isotherms for (0 0 1) and (0 1 0) with surface defects (denoted as <t>GCMC)</t> and the estimated isotherms using </xref> .
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(a) The experimental isotherm at 20 °C and simulated isotherms for (0 0 1) and (0 1 0) surfaces without defects. (b) The simulated isotherms for (0 0 1) and (0 1 0) with surface defects (denoted as <t>GCMC)</t> and the estimated isotherms using </xref> .
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(a) The experimental isotherm at 20 °C and simulated isotherms for (0 0 1) and (0 1 0) surfaces without defects. (b) The simulated isotherms for (0 0 1) and (0 1 0) with surface defects (denoted as <t>GCMC)</t> and the estimated isotherms using </xref> .
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(a) The experimental isotherm at 20 °C and simulated isotherms for (0 0 1) and (0 1 0) surfaces without defects. (b) The simulated isotherms for (0 0 1) and (0 1 0) with surface defects (denoted as GCMC) and the estimated isotherms using </xref> .

Journal: Langmuir

Article Title: Effects of Relative Humidity on Dissolution and Carbonation Potential of Portlandite

doi: 10.1021/acs.langmuir.5c05760

Figure Lengend Snippet: (a) The experimental isotherm at 20 °C and simulated isotherms for (0 0 1) and (0 1 0) surfaces without defects. (b) The simulated isotherms for (0 0 1) and (0 1 0) with surface defects (denoted as GCMC) and the estimated isotherms using .

Article Snippet: In this study, the water adsorption isotherms on portlandite surface were simulated by hybrid Grand Canonical Monte Carlo (GCMC)–Molecular Dynamics (MD) simulations and compared with the experiment.

Techniques: