A new porous organic polymer (CTF-CAR), which takes carbazole as the electron-rich center unit and thiophenes as the auxiliary group, has been synthesized through catalyst-free Schiff-base polymerization. At the same time, the structure, thermal stability, morphology, and other basic properties of the polymer were analyzed by IR, NMR, TGA, and SEM. Then, CTF-CAR was applied to iodine capture and rhodamine B adsorption. Due to its strong electron donor ability and abundant heteroatom binding sites, which have a positive effect on the interaction between the polymer network and adsorbates, CTF-CAR exhibits high uptake capacities for iodine vapor and rhodamine B as 2.86 g g-1 and 199.7 mg g-1, respectively. The recyclability test also confirmed that it has good reusability. We found that this low-cost and catalyst-free synthetic porous organic polymer has great potential for the treatment of polluted water and iodine capture.

Novel Carbazole-Based Porous Organic Polymer for Efficient Iodine Capture and Rhodamine B Adsorption.

Epoxy resin offers promising properties in composites, while its cross-linked structure prevents the disposal of waste composites. Pyrolysis is an essential technique for the breakdown of epoxy resin polymers, but the fundamental reaction mechanisms need to be clarified. In this study, the combination of experimental studies and the reactive force field molecular dynamic (ReaxFF-MD) simulation were performed to determine the formation mechanisms of pyrolysis products considering the secondary reactions of intermediates. The pyrolysis process was divided into the cleavage and polycondensation stages based on the carbon atom numbers of the largest cluster. The cleavage stage began with the removal of side-chain substituents, followed by the breakdown of the primary epoxy resin chain, resulting in the generation of pyrolysis gas products, of which the OH, C-C-O, and CH3 groups were identified as the critical intermediates in the creation of H2O, CO, and CH4, respectively. Meanwhile, the simultaneous evolution of liquid pyrolysis products (bisphenol A, phenol, and benzene) was established. After the epoxy resin chains were completely cracked, the unsaturated hydrocarbon intermediates underwent the dehydrogenation and polymerization reactions, causing the formation of pyrolysis char and the continuous generation of H2, H2O, and CO. The findings could provide some guidance to selectively regulate the pyrolysis of epoxy resin matrix composites. 

Insights into the pyrolysis mechanisms of epoxy resin polymers based on the combination of experiments and ReaxFF-MD simulation

For antibiotics misuse since the global outbreak of COVID 19, a novel strategy for discriminating and detecting antibiotics is proposed based on the graphene quantum dots with multi-doped heteroatoms including F, N and P (M-GQDs), which exhibit blue emission (419.0 nm) under the excitation of 336.0 nm. Specifically, the fluorescence of M-GQDs is quenched by tetracyclines (TCs) owing to inner filter effect (IFE) and enhanced by alkane-modified fluoroquinolones (AFQs), which is attributed to restricted conformational rotation based on π-π stacking, hydrogen-bonding and electrostatic interactions. Meanwhile, the electron-accepting property of oxazine ring in oxazine-modified fluoroquinolones (OFQs) increases emission peak at 498.0 nm and decreases emission peak at 419.0 nm as the color changes from blue to cyan. Moreover, a cascade system integrated with 3D microfluidic paper-based analytical device (3D-μPAD) is applied successfully for visually distinguishing three antibiotics, which shows great potential and versatility of M-GQDs for food safety monitoring. 

Construction of fluorescent sensor array and three-dimensional microfluidic paper based analytical device for specific identification and visual determination of antibiotics in food.

The pyrolysis characteristics of the polymeric nanocomposites are dominantly regulated by the pyrolyzable components to accommodate a specific thermodynamic environment. The pyrolysis mechanisms of the pyrolyzable system including silicone and phenolic aerogels (SiOC/PR) of silicone-modified phenolic aerogel matrix nanocomposites are carried out by kinetic analysis, ReaxFF molecular dynamics (MD) simulations, and artificial neural network (ANN). The experimental results show that the SiOC/PR systems exhibit better thermal stability when the mass ratio of SiOC to PR is 1:3. A distributed activation energy model with five pseudo-components is employed to calculate the kinetic parameters of each decomposition stage of SiOC/PR systems for describing the decomposition characteristics. The significant pyrolysis products detected by TG-FTIR are examined by ReaxFF MD simulations. MD results reveal that the methanol evolution of SiOC/PR systems is distinct in a high-temperature oxygen-free environment, where a mass ratio 1:3 of SiOC to PR is more likely to release methanol and forms a silicon oxide-rich phase with high bond energy. Two reaction mechanisms for methanol identified by the MD trajectory are the extraction reactions of methyl intermediates as well as hydroxymethyl intermediates. The mixture ratio of the pyrolyzable system of the SiOC/PR nanocomposites with optimal thermal resistance equaling 0.22 is predicted by ANN. This work can help understand the system’s chemical features and guide the pyrolyzable system design of the SiOC/PR nanocomposites. 

A comprehensive study of pyrolysis characteristics of silicone-modified phenolic aerogel matrix Nanocomposites: Kinetic Analysis, ReaxFF MD Simulations, and ANN prediction

Localised flame-retardant (FR) chemistry of polymer composites is complex, versatile and microscopic depending on the combination of polymer matrix and various FR systems. Particularly, the pyrolysis behaviour of the polymers can be varied and reinforced by effective microscopic synergistic effects between coating compositions. However, these atomistic reactions can be difficult to be characterised via experimental approaches. In this study, experimental studies and reactive molecular dynamic (ReaxFF-MD) simulation techniques were utilised to identify the thermal degradation behaviour of flame retarded high-density polyethylene (HDPE), coated with phosphoric acid (PA) and pentaerythritol (PER). The simulations tracked the pyrolysis product distribution under different heating temperatures and elucidated the pyrolysis hindrance offered by the FR system. The atomistic reaction pathways of phosphorus-based FR mechanism were also characterised, including secondary reactions and intermediate species, such as P-O-C and P-O-P cross-linking between FRs and radical capturing effects. These reactions were found to be increasing the C/H ratios of pyrolysed hydrocarbons and the aromaticity of residues. After applying the periodic removal techniques, the simulations can even predict the residue weight percentage of the polymer and exhibit similar degradation behaviour to the experimental results. 

Characterising flame-retardant mechanism of phosphorous-containing intumescent coating on polyethylene via ReaxFF MD simulations

Insight into Pyrolysis Behavior of Silicone-Phenolic Hybrid Aerogel Through Thermal Kinetic Analysis and Reaxff Md Simulations

With the increased demands of energy density boosting the electrochemical performance of the rechargeable alkali metal ion batteries, the safe operation of second batteries is attracting much attention and needs to be especially considered during their further development, which is essential in view of the well-known fire incidents of the lithium-ion batteries. These dangerous events in the lithium-ion batteries are as a consequence of the exothermic chemical reactions between the flammable carbonate-based solutions and the electrode active material under the terrible working conditions. Under this circumstance, some series of flame-retardant organic liquid-based solutions have demonstrated the potential towards safer rechargeable batteries with the minimal injurious or the advantageous effect on the batteries’ performance. This article reviews the flame-retardant organic liquid-based solutions for the rechargeable batteries, providing the reader with an overview of the safe solutions with flame-retardant additive/co-solvent involving trimethyl phosphate and its derivative, P-containing amide/phosphazene, all fluorinated solvent, and ionic liquids, in which the method of adapting concentrated and locally concentrated electrolyte solution are merged in the text content. Moreover, the functionality and purpose of the constituents in some flame-retardant mixtures are discussed and many flame-retardant electrolyte solutions are displayed to offer improved cycling and rate performance of different electrodes compared to traditional electrolyte solutions. 

https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/celc.202300009

Flame‐Retardant Additive/Co‐Solvent Contained in Organic Solution for Safe Second Batteries: A Mini Review

Phenothiazine-Based Porous Organic Polymers with High Sensitivity and Selective Fluorescence Response to Mercury Ions

Dual Regulation Strategy to Enhance the Electrochemical Performance of Rich Sulfur Vacancies Nico2s4 Integrate Electrode Material for Supercapacitors

The internet has made possible a number of powerful new forms of influence, some of which are invisible to users and leave no paper trails, which makes them especially problematic. Some of these effects are also controlled almost exclusively by a small number of multinational tech monopolies, which means that, for all practical purposes, these effects cannot be counteracted. In this paper, we introduce and quantify an effect we call the Targeted Messaging Effect (TME)–the differential impact of sending a consequential message, such as a link to a damning news story about a political candidate, to members of just one demographic group, such as a group of undecided voters. A targeted message of this sort might be difficult to detect, and, if it had a significant impact on recipients, it could undermine the integrity of the free-and-fair election. We quantify TME in a series of four randomized, controlled, counterbalanced, double-blind experiments with a total of 2,133 eligible US voters. Participants were first given basic information about two candidates who ran for prime minister of Australia in 2019 (this, to assure that our participants were “undecided”). Then they were instructed to search a set of informational tweets on a Twitter simulator to determine which candidate was stronger on a given issue; on balance, these tweets favored neither candidate. In some conditions, however, tweets were occasionally interrupted by targeted messages (TMs)–news alerts from Twitter itself–with some alerts saying that one of the candidates had just been charged with a crime or had been nominated for a prestigious award. In TM groups, opinions shifted significantly toward the candidate favored by the TMs, and voting preferences shifted by as much as 87%, with only 2.1% of participants in the TM groups aware that they had been viewing biased content.

What Would Happen If Twitter Sent Consequential Messages to Only a Strategically Important Subset of Users? A Quantification of the Targeted Messaging Effect (TME)

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