Rapid Synthesis of Asymmetric Methyl-Alkyl Carbonates Catalyzed by α-KMgPO4 in a Sealed-Vessel Reactor Monowave 50

Dimethyl-carbonate (DMC) is a green carboxymethylation agent for synthesis of the versatile long-chain alkyl carbonates through base-catalyzed transesterification with aliphatic alcohols. Herein, we demonstrated the facile preparation of a novel heterogeneous base catalyst α-KMgPO4 using commercially cheap metal salts via hydrothermal-calcination procedure. The combination of temperature programmed desorption (TPD) and FTIR measurements with CO2 pre-adsorbed revealed the presence of weak and medium base sites on α-KMgPO4. Furthermore, α-KMgPO4 catalyzed transesterification of DMC and n-octanol was performed in a sealed-vessel reactor (Monowave 50). The results show that the reaction was completed in only 10 min with the 97.5% conversion of n-octanol and >99% selectivity to asymmetric methyl-octyl carbonate under the optimal conditions. Additionally, the possible catalytic mechanism is proposed. As an extended contribution, the tribology performance of the asymmetric methyl-alkyl carbonates was further evaluated.

Comparative Calculations of TROI TS-2 and TS-3 Steam Explosion Experiments With TEXAS-V

During a severe accident, contact of the molten corium with the coolant water may cause an energetic steam explosion which is a rapid increase of explosive vaporization by transfer to the water of a significant part of the energy in the corium melt. This steam explosion has been considered as an adverse effect when the water is used to cool the molten corium and could threaten reactor vessel, reactor cavity, containment integrity. In this study, TROI TS-2 and TS-3 experiments as part of the OECD/SERENA-2 project were analyzed with TEXAS-V. Input parameters were based on actual TROI experiment data. In mixing simulations, calculated results were compared to melt front behavior, void fraction in trigger time and other parameters in experiment results. In explosion simulations, corresponding to TROI experiments an external triggering was employed at the moment that melt front reached heights of 0.4 m. Calculated results of peak pressure and impulse at the bottom were compared with TROI experiment results. Melt front behaviors of the melt was different from the experimental results in both TS-2 and TS-3. Void fraction in triggering time in TS-2 was in good agreement with the experiment results and in TS-3 was slightly overestimated. The peak pressure and impulse at bottom were successfully predicted by TEXAS-V. These calculations will allow establishing whether the limitations and differences observed in the simulations of the experiments are important for the reactor case.

The Aqueous Two Phase System (ATPS) Deserves Plausible Real-World Modeling for the Structure and Function of Living Cells

ABSTRACTAn aqueous two phase system (ATPS) is composed of binary hydrophilic polymers, for example, polyethylene glycol (PEG) and dextran, under an immiscible condition, and can also exhibit micro-segregation to produce cell-sized microcompartments like water-in-water microdroplets. Without membranes, interestingly, the microdroplet can serve as a micro-vessel (reactor) that contains various biochemical macromolecules like DNAs and proteins. We here present that PEG/dextran ATPS micro-segregation can provide an effective soft boundary to separate these biochemical macromolecules from the external environment. Trapped DNAs and proteins were concentrated inside such small spaces, and therefore, their interaction could be highly promoted to cause passive aggregation and controlled cross-linking if a certain cross-linker was added. We believe that the ATPS microdroplets might be associated with complicated structures and functions of living cells.