3000 XXXI International Mineral Processing Congress 2024 Proceedings/Washington, DC/Sep 29–Oct 3
primarily forms Fe—S bonds with both Py and Asp, with
the strength of Fe—S bonding higher in Py, consistent with
experimental recovery outcomes. In contrast, deproton-
ated IPETC (existing at pH 11) forms a single S—Fe bond
with Py and a S—Fe/N—As bond with Asp. The presence
of Cu ions enhances the adsorption of IPETCdp on Asp
compared to Py, attributed to the additional formation of
As—N bonds. This study underscores the utility of molec-
ular modeling techniques in gaining valuable insights into
the surface chemistry in flotation processes.
REFERENCES
[1] Kohad, V. P. 1998. Flotation of Sulphide Ores—HZL
Experience, Froth Flotation: Recent Trends, IIME,
Jamshedpur, 1998 pp. 18–41. https://core.ac.uk
/download/pdf/297713509.pdf.
[2] Cook, N.J. and Chryssoulis, S.L., 1990.
Concentrations of invisible gold in the common sul-
fides. The Canadian Mineralogist, 28(1), pp.1–16.
[3] Mann, M. F. 2017. An examination of the Py-gold
and Asp-gold systems:.
[4] Implications for hydrothermal gold deposits. Thesis,
Northern Illinois University.
[5] Forson, P., Zanin, M., Skinner, W. and Asamoah, R.,
2021. Differential flotation of pyrite and arsenopy-
rite: Effect of hydrogen peroxide and collector type.
Minerals Engineering, 163, p.106808.
[6] Allison, S.A., Goold, L.A., Nicol, M.J. and Granville,
A., 1972. A determination of the products of reaction
betweer various sulfide minerals and aqueous xan-
thate solution, and a correlation of the products with
electrode rest potentials. Metallurgical Transactions, 3,
pp.2613–2618.
[7] Wang, Z., Cao, J., Wang, L., Xiao, J. and Wang, J.,
2021. Selective depression of arsenopyrite with in situ
generated nanoparticles in pyrite flotation. Minerals
Engineering, 173, p.107223.
[8] Tapley, B. and Yan, D., 2003. The selective flotation
of arsenopyrite from pyrite. Minerals Engineering,
16(11), pp.1217–1220.
[9] Sirkeci, A.A., 2000. The flotation separation of pyrite
from arsenopyrite using hexyl thioethylamine as col-
lector. International Journal of Mineral Processing,
60(3–4), pp.263–276.
[10] Ran, J., Li, Y., Zong, M., Xu, H., Jiang, M., Gao, E.
and Zhang, Z., 2023. Flotation separation of pyrite
from arsenopyrite by surface discharge plasma modi-
fication. Separation and Purification Technology, 314,
p.123579.
[11] Kydros, K.A., Matis, K.A., Papadoyannis, I.N. and
Mavros, P., 1993. Selective separation of arsenopyrite
from an auriferous pyrite concentrate by sulphonate
flotation. International journal of mineral processing,
38(1–2), pp.141–151.
[12] Forson, P., Zanin, M., Asamoah, R., Skinner W.
Staged flotation of arsenopyrite and pyrite from an
auriferous concentrate. Chemeca 2021: Advance,
Disrupt and Sustain, pp. 28–30.
[13] Forson, P., Zanin, M., Abaka-Wood, G., Skinner,
W. and Asamoah, R.K., 2022. Flotation of aurifer-
ous arsenopyrite from pyrite using thionocarbamate.
Minerals Engineering, 181, p.107524.
[14] Giannozzi, P., Baroni, S., Bonini, N., Calandra, M.,
Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G.L.,
Cococcioni, M., Dabo, I. and Dal Corso, A., 2009.
QUANTUM ESPRESSO: a modular and open-
source software project for quantum simulations of
materials. Journal of physics: Condensed matter, 21(39),
p.395502.
[15] Perdew, J.P., Burke, K. and Ernzerhof, M., 1996.
Generalized gradient approximation made simple.
Physical review letters, 77(18), p.3865.
[16] Methfessel, M.P.A.T. and Paxton, A.T., 1989. High-
precision sampling for Brillouin-zone integration in
metals. Physical review B, 40(6), p.3616.
[17] Monkhorst, H.J. and Pack, J.D., 1976. Special points
for Brillouin-zone integrations. Physical review B,
13(12), p.5188.
[18] Kumar, D., Srinivasan, S.G., Jain, V. and Rai, B.,
2022. Understanding flotation processes at the atomic
scale using density functional theory–A case study on
adsorption of 2-Mercaptobenzothiazole on chalcopy-
rite and pyrite surfaces. Applied Surface Science, 579,
p.152112.
[19] Kumar, D., Goverapet Srinivasan, S., Jain, V. and
Rai, B., 2023. Understanding Surface Characteristics
and 2-Mercaptobenzothiazole Adsorption on Pyrite,
Arsenopyrite and Chalcopyrite Surfaces Using DFT
Approach. Transactions of the Indian Institute of
Metals, pp.1–9.
[20] Valiev, M., Bylaska, E.J., Govind, N., Kowalski,
K., Straatsma, T.P., Van Dam, H.J.J., Wang, D.,
Nieplocha, J., Aprà, E., Windus, T.L. and De Jong,
W.A., 2010. NWChem: A comprehensive and scal-
able open-source solution for large scale molecu-
lar simulations. Computer Physics Communications,
181(9), pp.1477–1489.
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Extracted Text (may have errors)

3000 XXXI International Mineral Processing Congress 2024 Proceedings/Washington, DC/Sep 29–Oct 3
primarily forms Fe—S bonds with both Py and Asp, with
the strength of Fe—S bonding higher in Py, consistent with
experimental recovery outcomes. In contrast, deproton-
ated IPETC (existing at pH 11) forms a single S—Fe bond
with Py and a S—Fe/N—As bond with Asp. The presence
of Cu ions enhances the adsorption of IPETCdp on Asp
compared to Py, attributed to the additional formation of
As—N bonds. This study underscores the utility of molec-
ular modeling techniques in gaining valuable insights into
the surface chemistry in flotation processes.
REFERENCES
[1] Kohad, V. P. 1998. Flotation of Sulphide Ores—HZL
Experience, Froth Flotation: Recent Trends, IIME,
Jamshedpur, 1998 pp. 18–41. https://core.ac.uk
/download/pdf/297713509.pdf.
[2] Cook, N.J. and Chryssoulis, S.L., 1990.
Concentrations of invisible gold in the common sul-
fides. The Canadian Mineralogist, 28(1), pp.1–16.
[3] Mann, M. F. 2017. An examination of the Py-gold
and Asp-gold systems:.
[4] Implications for hydrothermal gold deposits. Thesis,
Northern Illinois University.
[5] Forson, P., Zanin, M., Skinner, W. and Asamoah, R.,
2021. Differential flotation of pyrite and arsenopy-
rite: Effect of hydrogen peroxide and collector type.
Minerals Engineering, 163, p.106808.
[6] Allison, S.A., Goold, L.A., Nicol, M.J. and Granville,
A., 1972. A determination of the products of reaction
betweer various sulfide minerals and aqueous xan-
thate solution, and a correlation of the products with
electrode rest potentials. Metallurgical Transactions, 3,
pp.2613–2618.
[7] Wang, Z., Cao, J., Wang, L., Xiao, J. and Wang, J.,
2021. Selective depression of arsenopyrite with in situ
generated nanoparticles in pyrite flotation. Minerals
Engineering, 173, p.107223.
[8] Tapley, B. and Yan, D., 2003. The selective flotation
of arsenopyrite from pyrite. Minerals Engineering,
16(11), pp.1217–1220.
[9] Sirkeci, A.A., 2000. The flotation separation of pyrite
from arsenopyrite using hexyl thioethylamine as col-
lector. International Journal of Mineral Processing,
60(3–4), pp.263–276.
[10] Ran, J., Li, Y., Zong, M., Xu, H., Jiang, M., Gao, E.
and Zhang, Z., 2023. Flotation separation of pyrite
from arsenopyrite by surface discharge plasma modi-
fication. Separation and Purification Technology, 314,
p.123579.
[11] Kydros, K.A., Matis, K.A., Papadoyannis, I.N. and
Mavros, P., 1993. Selective separation of arsenopyrite
from an auriferous pyrite concentrate by sulphonate
flotation. International journal of mineral processing,
38(1–2), pp.141–151.
[12] Forson, P., Zanin, M., Asamoah, R., Skinner W.
Staged flotation of arsenopyrite and pyrite from an
auriferous concentrate. Chemeca 2021: Advance,
Disrupt and Sustain, pp. 28–30.
[13] Forson, P., Zanin, M., Abaka-Wood, G., Skinner,
W. and Asamoah, R.K., 2022. Flotation of aurifer-
ous arsenopyrite from pyrite using thionocarbamate.
Minerals Engineering, 181, p.107524.
[14] Giannozzi, P., Baroni, S., Bonini, N., Calandra, M.,
Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G.L.,
Cococcioni, M., Dabo, I. and Dal Corso, A., 2009.
QUANTUM ESPRESSO: a modular and open-
source software project for quantum simulations of
materials. Journal of physics: Condensed matter, 21(39),
p.395502.
[15] Perdew, J.P., Burke, K. and Ernzerhof, M., 1996.
Generalized gradient approximation made simple.
Physical review letters, 77(18), p.3865.
[16] Methfessel, M.P.A.T. and Paxton, A.T., 1989. High-
precision sampling for Brillouin-zone integration in
metals. Physical review B, 40(6), p.3616.
[17] Monkhorst, H.J. and Pack, J.D., 1976. Special points
for Brillouin-zone integrations. Physical review B,
13(12), p.5188.
[18] Kumar, D., Srinivasan, S.G., Jain, V. and Rai, B.,
2022. Understanding flotation processes at the atomic
scale using density functional theory–A case study on
adsorption of 2-Mercaptobenzothiazole on chalcopy-
rite and pyrite surfaces. Applied Surface Science, 579,
p.152112.
[19] Kumar, D., Goverapet Srinivasan, S., Jain, V. and
Rai, B., 2023. Understanding Surface Characteristics
and 2-Mercaptobenzothiazole Adsorption on Pyrite,
Arsenopyrite and Chalcopyrite Surfaces Using DFT
Approach. Transactions of the Indian Institute of
Metals, pp.1–9.
[20] Valiev, M., Bylaska, E.J., Govind, N., Kowalski,
K., Straatsma, T.P., Van Dam, H.J.J., Wang, D.,
Nieplocha, J., Aprà, E., Windus, T.L. and De Jong,
W.A., 2010. NWChem: A comprehensive and scal-
able open-source solution for large scale molecu-
lar simulations. Computer Physics Communications,
181(9), pp.1477–1489.

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