AlCl_3催化歧化制备二甲基二氯硅烷的DFT和MP2研究(II)

研究一甲基三氯硅烷与三甲基氯硅烷分别与三氯化铝作用并得到中间体后,中间体分别与一甲基三氯硅烷和三甲基氯硅烷作用的机理,反应的IRC(Intrinsicreactioncoordinate)曲线,各关键原子沿IRC的变化曲线及产物的理论产率.结果发现,中间体趋于与一甲基三氯硅烷作用生成二甲基二氯硅烷,且三甲基氯硅烷的转化率高于一甲基三氯硅烷.实验结果与计算结果吻合.     

Plasma treatment of polyester fabric to impart the water repellency property

Polyester fabric is treated with DCDMS solution by two methods: dipping the fabric directly in DCDMS solution for different intervals and dipping the fabric in DCDMS solution after its exposure into RF plasma chamber for different durations at optimized exposure power conditions. The physical properties of polyester fabric treated with DCDMS in the presence or absence of air plasma have been compared with control fabric. Different characterization techniques like scanning electron microscope, attenuated total reflectance-IR and Dataflash 100 colour measurement spectrophotometer are used to assess the surface morphology, composition and change in colour parameters. Water repellency property of both untreated and modified polyester fabric is studied using AATCC test method 39 (1971). The effectiveness of the water repellency property of modified polyester fabric is checked by repeated washing up to ten cycles. This article was presented at the Second International Conference on the Frontiers of Plasma Physics and Technology, 21–25 February 2005, Goa, India.     

Synthesis of polydimethylsiloxane microemulsions by self-catalyzed hydrolysis/condensation of dichlorodimethylsilane

The preparation of PDMS microemulsions was carried out by adding at controlled rate dichlorodimethylsilane (DCMS) in a solution of sodium dodecylpolyoxyethylene(8) sulphate. The instantaneous hydrolysis of DCMS and subsequent condensation of the corresponding dihydroxysilane generate dispersions of cyclosiloxanes of small lengths (4 to 6 D units). The high load of chloride ions released during the hydrolysis step requires the presence of the above-mentioned electrosteric surfactant to avoid rapid coagulation of the dispersion. In addition, its sulphate end-group captures a proton that catalyses the ring-opening polymerization of cyclosiloxane as well as the polycondensation of disilanol PDMS chains. Final particles exhibit a diameter of about 50 nm for a polydispersity index of less than 1.1. They are constituted of PDMS chains exclusively linear ( ; ) and of small cycles in low contents (less than 5 wt% in the best conditions). To cite this article: G. Palaprat, F. Ganachaud, C. R. Chimie 6 (2003).     

Effect of dichlorodimethylsilane on plasma-treated cotton fabric

Cotton fabric was treated with dichlorodimethylsilane (DCDMS) solution by two methods. In the first method, the fabrics were directly dipped into DCDMS solution for different time intervals and in the second method, the fabric was first subjected to radiofrequency (RF) plasma treatment for different durations and optimized exposure power condition and then immersed in DCDMS solution. The physical properties of cotton fabrics, treated with DCDMS in the presence/absence of air plasma have been compared with those of the control fabrics. Changes in the surface morphology structure and composition were observed through scanning electron microscopy and attenuated total reflectance-IR. The change in colour parameters of the fabric due to the treatment was assessed by Dataflash 100 colour measurement spectrophotometer with colourtools QC 1.3 colour quality software. The water repellent property of untreated and modified fabrics was studied using AATCC test method 39 (1971). The effectiveness of the water repellent property was checked by washing the treated fabrics up to ten cycles. Article presented at the International Conference on the Frontiers of Plasma Physics and Technology, 9–14 December 2002, Bangalore, India.     

AlCl3催化歧化制备二甲基二氯硅烷的DFT和MP2研究(II)

研究一甲基三氯硅烷与三甲基氯硅烷分别与三氯化铝作用并得到中间体后, 中间体分别与一甲基三氯硅烷和三甲基氯硅烷作用的机理, 反应的IRC (Intrinsic reaction coordinate)曲线, 各关键原子沿IRC的变化曲线及产物的理论产率. 结果发现, 中间体趋于与一甲基三氯硅烷作用生成二甲基二氯硅烷, 且三甲基氯硅烷的转化率高于一甲基三氯硅烷. 实验结果与计算结果吻合.