Improving formaldehyde removal from water and wastewater by fenton, photo-fenton and ozonation/fenton processes through optimization and modeling

This study aimed to assess, optimize and model the efficiencies of Fenton, photo-Fenton and ozonation/Fenton processes in formaldehyde elimination from water and wastewater using the response surface methodology (RSM) and artificial neural network (ANN). A sensitivity analysis was used to determine the importance of the independent variables. The influences of different variables, including H2O2 concentration, initial formaldehyde concentration, Fe dosage, pH, contact time, UV and ozonation, on formaldehyde removal efficiency were studied. The optimized Fenton process demonstrated 75% formaldehyde removal from water. The best performance with 80% formaldehyde removal from wastewater was achieved using the combined ozonation/Fenton process. The developed ANN model demonstrated better adequacy and goodness of fit with a R2 of 0.9454 than the RSM model with a R2 of 0. 9186. The sensitivity analysis showed pH as the most important factor (31%) affecting the Fenton process, followed by the H2O2 concentration (23%), Fe dosage (21%), contact time (14%) and formaldehyde concentration (12%). The findings demonstrated that these treatment processes and models are important tools for formaldehyde elimination from wastewater

Flexibility of Shape-Persistent Molecular Building Blocks Composed of p-Phenylene and Ethynylene Units

Jeschke G, Sajid M, Schulte M, et al. Flexibility of Shape-Persistent Molecular Building Blocks Composed of p-Phenylene and Ethynylene Units. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2010;132(29):10107-10117.Ethynylene and p-phenylene are frequently employed constitutional units in constructing the backbone of nanoscopic molecules with specific shape and mechanical or electronic function. How well these properties are defined depends on the flexibility of the backbone, which can be characterized via the end-to-end distance distribution. This distribution is accessible by pulse electron paramagnetic resonance (EPR) distance measurements between spin labels that are attached at the backbone. Four sets of oligomer with different sequences of p-phenylene and ethynylene units and different spin labels were prepared using polar tagging as a tool for simple isolation of the targeted compounds. By variation of backbone length, of the sequence of p-phenylene and ethynylene units, and of the spin labels a consistent coarse-grained model for backbone flexibility of oligo(p-phenyleneethynylene)s and oligo(p-phenylenebutadiynylene)s is obtained. The relation of this harmonic segmented chain model to the worm-like chain model for shape-persistent polymers and to atomistic molecular dynamics simulations is discussed. Oligo(p-phenylene butadiynylene)s are found to be more flexible than oligo(p-phenyleneethynylene)s, but only slightly so. The end-to-end distance distribution measured in a glassy state of the solvent at a temperature of 50 K is found to depend on the glass transition temperature of the solvent. In the range between 91 and 373 K this dependence is in quantitative agreement with expectations for flexibility due to harmonic bending. For the persistence lengths at 298 K our data predict values of (13.8 +/- 1.5) nm for poly(p-phenyleneethynylene)s and of (11.8 +/- 1.5) nm for poly(p-phenylenebutadiynylene)s