XXXI International Mineral Processing Congress 2024 Proceedings/Washington, DC/Sep 29–Oct 3 2489
Collector Adsorption on Dry and Hydrated Sperrylite
and Platarsite (100) Surface
The packing geometry modes of NBX, NBDTC and
DTBAT collectors on the dry and hydrated sperrylite
and dry platarsite mineral surface as well as their adsorp-
tion strength were investigated by simulating the neutral
condition (Na+) and acidic condition (H+). In order to
identify the most preferred and exothermic adsorption site,
different adsorption sites were tested. Figure 4 and 5 dis-
plays the most stable and exothermic relaxed geometries for
the three collector molecules adsorption bonding modes on
sperrylite and platarsite (100) surface.
Table 2. Calculated bond lengths (Å) and bond angles (deg.) for NBX, NBDTC and DTBAT collectors
Bonds
Collectors Association with Na+ (Neutral) Collectors Association with H+ (Acidic)
SNBX SNBDTC SDTBAT HNBX HNBDTC HDTBAT
C4/6–S1 1.709 1.720 1.714 1.638 1.653 1.756
C4/2–S2 1.705 1.725 1.744 1.752 1.767 1.754
C4–O/N 1.355 1.354 1.376 1.347 1.351 1.353
S1–C4–S2 127.52 126.07 — 120.40 117.02 —
Figure 4. Adsorption structures on dry and hydrated sperrylite (100) surface: (a) and (b) neutral SDTBAT adsorptions, and (c)
and (d) acidic HNBDTC adsorptions
Collector Adsorption on Dry and Hydrated Sperrylite
and Platarsite (100) Surface
The packing geometry modes of NBX, NBDTC and
DTBAT collectors on the dry and hydrated sperrylite
and dry platarsite mineral surface as well as their adsorp-
tion strength were investigated by simulating the neutral
condition (Na+) and acidic condition (H+). In order to
identify the most preferred and exothermic adsorption site,
different adsorption sites were tested. Figure 4 and 5 dis-
plays the most stable and exothermic relaxed geometries for
the three collector molecules adsorption bonding modes on
sperrylite and platarsite (100) surface.
Table 2. Calculated bond lengths (Å) and bond angles (deg.) for NBX, NBDTC and DTBAT collectors
Bonds
Collectors Association with Na+ (Neutral) Collectors Association with H+ (Acidic)
SNBX SNBDTC SDTBAT HNBX HNBDTC HDTBAT
C4/6–S1 1.709 1.720 1.714 1.638 1.653 1.756
C4/2–S2 1.705 1.725 1.744 1.752 1.767 1.754
C4–O/N 1.355 1.354 1.376 1.347 1.351 1.353
S1–C4–S2 127.52 126.07 — 120.40 117.02 —
Figure 4. Adsorption structures on dry and hydrated sperrylite (100) surface: (a) and (b) neutral SDTBAT adsorptions, and (c)
and (d) acidic HNBDTC adsorptions