Alternate copolymerization of diallylamine derivatives [(CHCH[double bond, length as m-dash]CH)NR; R = Me, (CH)PO(OEt), and CHPO(OEt)] (I)-maleic acid (MA) and (I·HCl)-SO pairs have been carried out thermally using ammonium persulfate initiator as well as UV radiation at a of 365 nm. The reactivity ratios of ≈0 for the monomers in each pair I-MA and I·HCl-SO ensured their alternation in each copolymer. However, numerous attempted terpolymerizations of I-MA-SO failed to entice MA to participate to any meaningful extent. In contrast to reported literature, only 1-2 mol% of MA was incorporated into the polymer chain mainly consisting of poly(I--SO). Quaternary diallyldialkylammonium chloride [(CH[double bond, length as m-dash]CH-CH)NRCl; R = Me, Et] (II) also, did not participate in II-MA-SO terpolymerizations. Poly((I, R = Me)--SO) III is a stimuli-responsive polyampholyte; its transformation under pH-induced changes to cationic, polyampholyte-anionic, and dianionic polyelectrolytes has been examined by viscosity measurements. The p of two carboxylic acid groups and NH in III has been determined to be 2.62, 5.59, and 10.1. PA III, evaluated as a potential antiscalant in reverse osmosis plants, at the concentrations of 5 and 20 ppm, imparted ≈100% efficiency for CaSO scale inhibition from its supersaturated solution for over 50 and 500 min, respectively, at 40 °C. The synthesis of PA III in excellent yields from cheap starting materials and its very impressive performance may grant PA III a prestigious place as an environment-friendly phosphate-free antiscalant.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9101235 | PMC |
| http://dx.doi.org/10.1039/c8ra08723g | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Comparative Computational Study of Frequency Shifts and Infrared Intensity Changes in Model Binary Complexes with Red- and Blue-Shifting Hydrogen Bonds.
Molecules
December 2024
Department of Biological and Chemical Sciences, The University of the West Indies, Cave Hill Campus, Wanstead P.O. Box 64, Barbados.
A computational study of X-H···Y binary hydrogen-bonded complexes was undertaken to examine the red- and blue-shifting behavior of three model X-H proton donors interacting with a series of Lewis bases: Y = NH, NCLi, NCH, NCF, CH, BF, CO, N and Ne. Two of these proton donors, FArH and FCH, have blue-shifting tendencies, while the third, FH, has red-shifting tendencies. A perturbation theory model for frequency shifts that was derived many years ago was employed to partition the predicted frequency shift into the sum of two components, one dependent on the second derivative of the interaction energy with respect to X-H displacement and the other dependent on the X-H bond length change in the binary complex.
View Article and Find Full Text PDFPrediction of Thermodynamic Properties of C-Based Fullerenols Using Machine Learning.
J Chem Theory Comput
January 2025
Guizhou Provincial Engineering Technology Research Center for Chemical Drug R&D, School of Pharmacy, Guizhou Medical University, Guiyang, Guizhou 550025, P. R. China.
Traditional machine learning methods face significant challenges in predicting the properties of highly symmetric molecules. In this study, we developed a machine learning model based on graph neural networks (GNNs) to accurately and swiftly predict the thermodynamic and photochemical properties of fullerenols, such as C(OH) ( = 1 to 30). First, we established a global method for generating fullerenol isomers through isomer fingerprinting, which can generate all possible isomers or produce diverse structural types on demand.
View Article and Find Full Text PDFComment on: "Energy spectrum of selected diatomic molecules (H , CO, I , NO) by the resolution of Schrödinger equation for combined potentials via NUFA method".
J Mol Model
January 2025
INIFTA, DQT, Sucursal 4, C. C. 16, 1900, La Plata, Argentina.
Quantum mechanics has proved to be suitable for the study of molecular systems. In particular, the Born-Oppenheimer approximation enables one to separate the motions of electrons and nuclei. In the case of diatomic molecules, this approximation leads to the so-called potential-energy function that provides the interaction between the two nuclei.
View Article and Find Full Text PDFConfining Phosphoric Acid in Quaternized COF Channels for Ultra-stable and Fast Anhydrous Proton Transport.
Angew Chem Int Ed Engl
January 2025
Tianjin University, School of Chemical Engineering and Technology, Weijin Road, 300072, Tianjin, CHINA.
Phosphoric acid (H3PO4) doping is a widely employed strategy to facilitate anhydrous proton transport in high-temperature proton exchange membrane fuel cells (HT-PEMFCs). However, significant H3PO4 leaching during long-term operation poses critical challenges to maintaining membrane stability and proton conductivity. Herein, H3PO4 is incorporated into positively charged nanochannels of quaternized covalent organic framework membranes (QACOFMs), leveraging strong electrostatic interactions and confinement effects to achieve exceptional H3PO4 retention under hydration conditions.
View Article and Find Full Text PDFMetathesis chemistry of inorganic cumulenes driven by B-O bond formation.
Chem Sci
December 2024
Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford South Parks Road Oxford OX1 3QR UK
The reaction chemistry of an unprecedented 'inorganic cumulene' - featuring a five-atom BNBNB chain - towards C[double bond, length as m-dash]O (and related) multiple bonds is disclosed. In marked contrast to related all-carbon systems, the intrinsic polarity of the BNBNB chain (featuring electron-rich nitrogen and electron-deficient boron centres) enables metathesis chemistry with electrophilic heteroallenes such as CO and with organic carbonyl compounds. Transfer of the borylimide unit to [CO], [CS], [PP{(NDippCH)}] and [C(H)Ph] moieties generates (boryl)N[double bond, length as m-dash]C[double bond, length as m-dash]X systems (X = O, S, PP{(NDippCH)}, C(H)Ph), driven thermodynamically by B-O bond formation.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!