No abstract

In this paper, a dataset of 11 fluorinated compounds containing a variety of functional groups (amides, esters, indoles, and ethers) as well as mono, gem-difluoro, erythro-difluoro, and threo-difluoro patterns were synthesised and their octanol–water partition coefficients (log P) were measured using a shake-flask method. The resulting data was used to assess the performance of several popular empirical fragment-based methods as well as quantum chemical implicit solvent models (SMD and SM12). Overall, the empirical miLOGP, ALOGPS, and ALOGP methods performed the best with a mean absolute deviation (MAD) of ~0.25 log units, while the best performing implicit solvent model SMD has a slightly higher MAD of 0.36 log units. Based on the present work and previous studies, the miLOGP and ALOGP empirical methods are recommended for fast and moderately accurate prediction of log P for neutral organic solutes.

Cationic modification experiments were performed to research on the affection of modification agent to pigment dyeing. The influences of modification process condition such as temperature, time, bath ratio, modifier and NaOH dosage etc. were suggested as critical for pigment dyeing. It is observed that, fabric has excellent dyeing depth under the condition of modifier 5g/L and NaOH 8g/L, bath ratio 40:1(water: cloth), modification time 55min at 70°C.

Chitosan quaternary ammonium salt is synthesized by means of heterogeneous reaction, and then applied to treat reactive dye waste water. Effects of flocculation factors on treatment waste water are discussed. The results show that, the quaternary ammonium salt of chitosan concentration and settling time have great effects on the flocculation effect, and the stirring manner has little effect on flocculation.

A effective and cheap adsorbent, chitosan modified bentonite was prepared in this work. XRD, SEM and FTIR were used to characterize unmodified and chitosan modified bentonite materials. The adsorption property of bentonite and modified bentonite for mythlene blue in wastewater were investigated by spectrophotometry. The effects of initial pH value, sorbent dosage and contact time on the adsorption capacity have been investigated. The chitoan modified bentonite showed excellent removal capacities for methylene blue from waste water.