2332 XXXI International Mineral Processing Congress 2024 Proceedings/Washington, DC/Sep 29–Oct 3
Delachaux, F., Hessou, E.P., Vallières, C., Monnier, H.,
Badawi, M., 2023. A dispersion-corrected DFT
method for zeolite-based CO2/N2 separation:
Assessment and application. Journal of Environmental
Chemical Engineering 11, 109052. doi: 10.1016/j.
jece.2022.109052.
Do, D.D., 1998. Adsorption analysis: equilibria and kinet-
ics, Series on chemical engineering. Imperial College
Press, London.
Foucaud, Y., Badawi, M., Filippov, L., Filippova, I.,
Lebègue, S., 2019. A review of atomistic simulation
methods for surface physical-chemistry phenomena
applied to froth flotation. Minerals Engineering 143,
106020. doi: 10.1016/j.mineng.2019.106020.
Foucaud, Y., Canevesi, R.L.S., Celzard, A., Fierro, V.,
Badawi, M., 2021a. Hydration mechanisms of schee-
lite from adsorption isotherms and ab initio molecular
dynamics simulations. Applied Surface Science 562,
150137.
Foucaud, Y., Lainé, J., Filippov, L.O., Barrès, O.,
Kim, W.J., Filippova, I.V., Pastore, M., Lebègue, S.,
Badawi, M., 2021b. Adsorption mechanisms of fatty
acids on fluorite unraveled by infrared spectroscopy
and first-principles calculations. Journal of Colloid
and Interface Science 583, 692–703. doi: 10.1016/j.
jcis.2020.09.062.
Freundlich, H., 1907. Über die Adsorption in Lösungen.
Zeitschrift für Physikalische Chemie 57U, 385–470.
doi: 10.1515/zpch-1907-5723.
Giles, C.H., Macewans, T.H., Nakhwa, S.N., Smith, D.,
1960. Studies in Adsorption. Part XI :A System of
Classification of Solution Adsorption Isotherms, and
its Use in Diagnosis of Adsorption Mechanisms and
in Measurement of Specific Surface Areas of Solids.
Journal of Chemical Society.
Hinz, C., 2001. Description of sorption data with isotherm
equations. Geoderma 99, 225–243. doi: 10.1016/
S0016-7061(00)00071-9.
Hohenberg, P., Kohn, W., 1964. Inhomogeneous Electron
Gas. Phys. Rev. 136, B864–B871. doi: 10.1103/
PhysRev.136.B864.
Kohn, W., Sham, L.J., 1965. Self-Consistent Equations
Including Exchange and Correlation Effects. Phys.
Rev. 140, A1133–A1138. doi: 10.1103/PhysRev.140.
A1133.
Kresse, G., Hafner, J., 1993. Ab initio molecular dynam-
ics for liquid metals. Phys. Rev. B 47, 558–561. doi:
10.1103/PhysRevB.47.558.
Langmuir, I., 1918. The adsorption Of Gases On Plane
Surfaces Of Glass, Mica And Platinum. J. Am. Chem.
Soc. 40, 1361–1403. doi: 10.1021/ja02242a004.
Mathias, P.M., Kumar, R., Moyer, J.D., Schork, J.M.,
Srinivasan, S.R., Auvil, S.R., Talu, O., 1996.
Correlation of Multicomponent Gas Adsorption by the
Dual-Site Langmuir Model. Application to Nitrogen/
Oxygen Adsorption on 5A-Zeolite. Ind. Eng. Chem.
Res. 35, 2477–2483. doi: 10.1021/ie950291y.
Nuhnen, A., Janiak, C., 2020. A practical guide to calculate
the isosteric heat/enthalpy of adsorption via adsorp-
tion isotherms in metal–organic frameworks, MOFs.
Dalton Trans. 49, 10295–10307. doi: 10.1039/
D0DT01784A.
Papini, R.M., Brandão, P.R.G., Peres, A.E.C., 2001.
Cationic flotation of iron ores: amine characterization
and performance. Mining, Metallurgy &Exploration
18, 5–9. doi: 10.1007/BF03402863.
Redlich, O., Peterson, D.L., 1959. A Useful Adsorption
Isotherm. J. Phys. Chem. 63, 1024–1024. doi:
10.1021/j150576a611.
Sabah, E., Turan, M., Çelik, M.S., 2002. Adsorption
mechanism of cationic surfactants onto acid- and heat-
activated sepiolites. Water Research 36, 3957–3964.
doi: 10.1016/S0043-1354(02)00110-0.
Silva, L.A., Garrot, T.G., Pereira, A.M., Correia, J.C.G.,
2021. Historical perspective and bibliometric analy-
sis of molecular modeling applied in mineral flota-
tion systems. Minerals Engineering 170, 107062. doi:
10.1016/j.mineng.2021.107062.
Sing, K.S.W., 1985. Reporting physisorption data for gas/
solid systems with special reference to the determina-
tion of surface area and porosity (Recommendations
1984). Pure and Applied Chemistry 57, 603–619. doi:
10.1351/pac198557040603.
Thomas, J.E., Kelley, M.J., 2008. Interaction of mineral
surfaces with simple organic molecules by diffuse reflec-
tance IR spectroscopy (DRIFT). Journal of Colloid
and Interface Science 322, 516–526. doi: 10.1016/j.
jcis.2008.03.024.
Toth, J., 1971. State equation of the solid gas interface
layer. Acta Chimica Hungaricae 69, 311–317.
Yoon, R.-H., Ravishankar, S.A., 1994. Application of
Extended DLVO Theory: III. Effect of Octanol
on the Long-Range Hydrophobic Forces between
Dodecylamine-Coated Mica Surfaces. Journal of
Colloid and Interface Science 166, 215–224. doi:
10.1006/jcis.1994.1287.
Yuehua, H., Wei, S., Haipu, L., Xu, Z., 2004. Role of macro-
molecules in kaolinite flotation. Minerals Engineering
17, 1017–1022. doi: 10.1016/j.mineng.2004.04.012
Delachaux, F., Hessou, E.P., Vallières, C., Monnier, H.,
Badawi, M., 2023. A dispersion-corrected DFT
method for zeolite-based CO2/N2 separation:
Assessment and application. Journal of Environmental
Chemical Engineering 11, 109052. doi: 10.1016/j.
jece.2022.109052.
Do, D.D., 1998. Adsorption analysis: equilibria and kinet-
ics, Series on chemical engineering. Imperial College
Press, London.
Foucaud, Y., Badawi, M., Filippov, L., Filippova, I.,
Lebègue, S., 2019. A review of atomistic simulation
methods for surface physical-chemistry phenomena
applied to froth flotation. Minerals Engineering 143,
106020. doi: 10.1016/j.mineng.2019.106020.
Foucaud, Y., Canevesi, R.L.S., Celzard, A., Fierro, V.,
Badawi, M., 2021a. Hydration mechanisms of schee-
lite from adsorption isotherms and ab initio molecular
dynamics simulations. Applied Surface Science 562,
150137.
Foucaud, Y., Lainé, J., Filippov, L.O., Barrès, O.,
Kim, W.J., Filippova, I.V., Pastore, M., Lebègue, S.,
Badawi, M., 2021b. Adsorption mechanisms of fatty
acids on fluorite unraveled by infrared spectroscopy
and first-principles calculations. Journal of Colloid
and Interface Science 583, 692–703. doi: 10.1016/j.
jcis.2020.09.062.
Freundlich, H., 1907. Über die Adsorption in Lösungen.
Zeitschrift für Physikalische Chemie 57U, 385–470.
doi: 10.1515/zpch-1907-5723.
Giles, C.H., Macewans, T.H., Nakhwa, S.N., Smith, D.,
1960. Studies in Adsorption. Part XI :A System of
Classification of Solution Adsorption Isotherms, and
its Use in Diagnosis of Adsorption Mechanisms and
in Measurement of Specific Surface Areas of Solids.
Journal of Chemical Society.
Hinz, C., 2001. Description of sorption data with isotherm
equations. Geoderma 99, 225–243. doi: 10.1016/
S0016-7061(00)00071-9.
Hohenberg, P., Kohn, W., 1964. Inhomogeneous Electron
Gas. Phys. Rev. 136, B864–B871. doi: 10.1103/
PhysRev.136.B864.
Kohn, W., Sham, L.J., 1965. Self-Consistent Equations
Including Exchange and Correlation Effects. Phys.
Rev. 140, A1133–A1138. doi: 10.1103/PhysRev.140.
A1133.
Kresse, G., Hafner, J., 1993. Ab initio molecular dynam-
ics for liquid metals. Phys. Rev. B 47, 558–561. doi:
10.1103/PhysRevB.47.558.
Langmuir, I., 1918. The adsorption Of Gases On Plane
Surfaces Of Glass, Mica And Platinum. J. Am. Chem.
Soc. 40, 1361–1403. doi: 10.1021/ja02242a004.
Mathias, P.M., Kumar, R., Moyer, J.D., Schork, J.M.,
Srinivasan, S.R., Auvil, S.R., Talu, O., 1996.
Correlation of Multicomponent Gas Adsorption by the
Dual-Site Langmuir Model. Application to Nitrogen/
Oxygen Adsorption on 5A-Zeolite. Ind. Eng. Chem.
Res. 35, 2477–2483. doi: 10.1021/ie950291y.
Nuhnen, A., Janiak, C., 2020. A practical guide to calculate
the isosteric heat/enthalpy of adsorption via adsorp-
tion isotherms in metal–organic frameworks, MOFs.
Dalton Trans. 49, 10295–10307. doi: 10.1039/
D0DT01784A.
Papini, R.M., Brandão, P.R.G., Peres, A.E.C., 2001.
Cationic flotation of iron ores: amine characterization
and performance. Mining, Metallurgy &Exploration
18, 5–9. doi: 10.1007/BF03402863.
Redlich, O., Peterson, D.L., 1959. A Useful Adsorption
Isotherm. J. Phys. Chem. 63, 1024–1024. doi:
10.1021/j150576a611.
Sabah, E., Turan, M., Çelik, M.S., 2002. Adsorption
mechanism of cationic surfactants onto acid- and heat-
activated sepiolites. Water Research 36, 3957–3964.
doi: 10.1016/S0043-1354(02)00110-0.
Silva, L.A., Garrot, T.G., Pereira, A.M., Correia, J.C.G.,
2021. Historical perspective and bibliometric analy-
sis of molecular modeling applied in mineral flota-
tion systems. Minerals Engineering 170, 107062. doi:
10.1016/j.mineng.2021.107062.
Sing, K.S.W., 1985. Reporting physisorption data for gas/
solid systems with special reference to the determina-
tion of surface area and porosity (Recommendations
1984). Pure and Applied Chemistry 57, 603–619. doi:
10.1351/pac198557040603.
Thomas, J.E., Kelley, M.J., 2008. Interaction of mineral
surfaces with simple organic molecules by diffuse reflec-
tance IR spectroscopy (DRIFT). Journal of Colloid
and Interface Science 322, 516–526. doi: 10.1016/j.
jcis.2008.03.024.
Toth, J., 1971. State equation of the solid gas interface
layer. Acta Chimica Hungaricae 69, 311–317.
Yoon, R.-H., Ravishankar, S.A., 1994. Application of
Extended DLVO Theory: III. Effect of Octanol
on the Long-Range Hydrophobic Forces between
Dodecylamine-Coated Mica Surfaces. Journal of
Colloid and Interface Science 166, 215–224. doi:
10.1006/jcis.1994.1287.
Yuehua, H., Wei, S., Haipu, L., Xu, Z., 2004. Role of macro-
molecules in kaolinite flotation. Minerals Engineering
17, 1017–1022. doi: 10.1016/j.mineng.2004.04.012