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A dynamic mathematical model is developed for production of Cerenol polyether from 1,3‐propanediol in a batch reactor system. The model accounts for polycondensation reactions and side reactions in the liquid phase and for mass transfer of volatile species to the vapor. Parameters are estimated using measured liquid‐phase concentrations of monomer, oligomers, water, and end groups as well as the mass and composition of condensate collected from the overhead condenser system. The proposed model uses novel probability factors to keep the model equations relatively simple while accounting for the complex influence of superacid catalyst on reaction rates. The model is a significant advance over previous Cerenol models because it better accounts for mass‐transfer rates and for the dynamic behavior of the condenser. In addition, the proposed model accounts for the inhibitory influence of water on polycondensation kinetics due to hydration of hydroxyl ends. The model equations and parameter estimates provide a substantial improvement in fit to the data, especially for long reaction times and high catalyst levels, resulting in a 97% reduction in the value of the weighted least squared objective function compared to equations and parameters from a previous model. 相似文献
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A novel polymer-bound 1,2-diol, 3-polystyrylsulfonyl-1,2-propanediol (6) had been prepared by the reaction of sodium polystyrylsulfinate with allyl bromide, followed by oxidation and. hydrolysis or directly with 3-chloro-1,2-propanediol in the presence of a phase transfer catalyst, n-tetrabutylammonium iodide. The capacity of resin 6 for terephthaidehyde reached 1.43 mmol/g. The aldehydic groups attached to polymer 6 reacted with hydroxylamine hydrochloride or reduced by sodium borohydride giving p-formylbenzaldoxime (yield: 89%)and p-formyl-benzalcohol (yield: 734%), respectively. The high yields of these polymer-supported reactions showed that the polymer 6 possessed the effective isolation of its reactive sites. 相似文献
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Auneau F Michel C Delbecq F Pinel C Sautet P 《Chemistry (Weinheim an der Bergstrasse, Germany)》2011,17(50):14288-14299
We report herein a detailed and accurate study of the mechanism of rhodium-catalysed conversion of glycerol into 1,2-propanediol and lactic acid. The first step of the reaction is particularly debated, as it can be either dehydration or dehydrogenation. It is expected that these elementary reactions can be influenced by pH variations and by the nature of the gas phase. These parameters were consequently investigated experimentally. On the other hand, there was a lack of knowledge about the behaviour of glycerol at the surface of the metallic catalyst. A theoretical approach on a model Rh(111) surface was thus implemented in the framework of density functional theory (DFT) to describe the above-mentioned elementary reactions and to calculate the corresponding transition states. The combination of experiment and theory shows that the dehydrogenation into glyceraldehyde is the first step for the glycerol transformation on the Rh/C catalyst in basic media under He or H(2) atmosphere. 相似文献
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Lilian Mussi Andr Rolim Baby Flavio Bueno Camargo Junior Giovana Padovani Bianca da Silva Sufi Wagner Vidal Magalhes 《Molecules (Basel, Switzerland)》2021,26(21)
In addition to dermatological complications, acne can affect the quality of life of individuals in numerous ways, such as employment, social habits and body dissatisfaction. According to our expertise, caprylic acid and propanediol would not have a direct action on Cutibacterium acnes. Despite this, we investigated the existence of a synergistic effect among xylitol, caprylic acid and propanediol as a mixture of compounds representing a single topical active ingredient that could benefit the treatment against acne. In vitro and in vivo assays were performed to challenge and to prove the efficacy of propanediol, xylitol and caprylic acid (PXCA) against acne. PXCA had its MIC challenged against C. acnes (formerly Propionibacterium acnes) and Staphylococcus aureus, resulting in concentrations of 0.125% and 0.25%, respectively, and it also developed antimicrobial activity against C. acnes (time-kill test). PXCA was able to reduce the 5-alpha reductase expression in 24% (p < 0.01) in comparison with the testosterone group. By the end of 28 days of treatment, the compound reduced the skin oiliness, porphyrin amount and the quantity of inflammatory lesions in participants. According to the dermatologist evaluation, PXCA improved the skin’s general appearance, acne presence and size. 相似文献
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2,2-二羟甲基-1,3-丙二醇单缩醛的合成 总被引:2,自引:0,他引:2
引言2,2-二羟甲基-1,3-丙二醇(以下称季戊四醇)单缩醛是有机合成的重要中间体。我们曾用季戊四醇单缩醛与氢化钠及1,3-丙磺内酯反应合成了一系列含有1,3-二氧六环的磺酸盐型可断裂表面活性剂[1]。目前,有关季戊四醇单缩醛的文献报道极少。Conr... 相似文献
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Trost BM Malhotra S Mino T Rajapaksa NS 《Chemistry (Weinheim an der Bergstrasse, Germany)》2008,14(25):7648-7657
The asymmetric acylation of meso-2-substituted-1,3-propanediols by using an amphoteric chiral dinuclear zinc catalyst is described. It is has been demonstrated that both 2-alkyl- and 2-aryl-1,3-propanediols can be desymmetrized in high yields and enantioselectivities by using the same family of ligands. Given that both antipodes of the chiral catalyst are available, both enantiomers of the desymmetrized product can be obtained from the same starting material. The synthetic utility of the desymmetrized products has been demonstrated by the synthesis of several chiral building blocks with high enantiomeric purities. 相似文献
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M. Barrio J. Font D. O. López J. Muntasell J. Ll. Tamarit 《Journal of Thermal Analysis and Calorimetry》1994,41(5):1171-1175
Heat capacity measurements between 293 K and 363 K have been carried out in order to elucidate the different states appearing in 2-amino-2-methyl-1,3 propanediol (AMP) plastic crystal. The results allowed one of them to be identified as a glassy crystal. The changes of enthalpy, entropy and Gibbs free energy thermodynamic functions with temperature have been calculated from the experimental heat capacity values. 相似文献