Influence of carbon black with different polar groups on the solvent N‐methylmorpholine N‐oxide

• DOI: 10.1111/cote.12544
• Publication Date: 2021-03-30T03:20:11Z
• Authors: Hong Jin; Alex Kwasi Kumi; Shiqiang Cui; Yumei Zhang
• Keywords: 01 natural sciences; 0104 chemical sciences

AbstractTo confirm the effect of the surface property of carbon black (CB) on the lyocell process and the chemical stability of the solvent N‐methylmorpholine N‐oxide (NMMO), molecular dynamics simulation and ultraviolet tests were performed to investigate the interaction between aqueous NMMO solution and CB surfaces with different polar groups. The hydrophobic interaction between the O2 atom of NMMO and the unmodified CB surface increased with an increase in NMMO concentration. The interaction improved the dispersion of CB in aqueous NMMO solution, but this effect was not sufficient to prevent the aggregation between CB particles. Modifying the CB surface with a 1%‐3% carboxyl or amino group produced a stronger electrostatic interaction between the polar groups and the solvent molecules; however, the carboxyl group had a significant influence on the chemical stability of NMMO. The amino group can realise the stable dispersion of CB in aqueous NMMO solutions without affecting the chemical stability of NMMO, which would be the best choice for preparation of functional lyocell fibre.