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Atmospheric pressure coated-wall flow-tube study of acetone adsorption on ice

机译:常压涂层壁流管研究丙酮在冰上的吸附

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An atmospheric pressure variant of the coated-wall flow-tube technique in combination with a Monte Carlo simulation is presented. In a performance test of simple first-order wall loss, the Monte Carlo simulation, which uses a simplified model of transport in laminar flow, reproduced results of an analytical solution of the transport equations in a flow tube. This technique was then used to investigate the reversible adsorption of acetone on ice films between 203 and 223 K and a surface coverage of below 5% of a formal monolayer. Simulation of the experimental uptake traces allowed retrieving an adsorption enthalpy of -46 +/- 3 kJ mol(-1) for acetone on ice, which is in good agreement with other static and flow-tube methods. For the experimental conditions adopted here, the transport of acetone molecules along the ice film is governed by equilibrium thermodynamics. Therefore, the surface accommodation coefficient, S-0, and the preexponential factor, tau(0), for the activated desorption cannot be independently determined. These two main microphysical parameters describing partitioning can rather be estimated through their relation to the adsorption entropy. A first estimate for S-0 of acetone on ice in the range of 0.004-0.043 is given.
机译:提出了与蒙特卡罗模拟相结合的涂层壁流管技术的大气压变体。在简单的一阶壁面损失的性能测试中,蒙特卡罗模拟使用层流中的简化输运模型,再现了流管中输运方程的解析解的结果。然后,该技术用于研究丙酮在203 K与223 K之间的冰膜上的可逆吸附以及表面覆盖层低于正式单层的5%。模拟的实验吸收痕迹允许检索到冰上丙酮的-46 +/- 3 kJ mol(-1)的吸附焓,这与其他静态方法和流管方法非常吻合。对于此处采用的实验条件,丙酮分子沿冰膜的传输受平衡热力学控制。因此,不能独立确定用于活化解吸的表面调节系数S-0和指数前因子tau(0)。可以通过描述它们与吸附熵的关系来估算这两个主要的分区物理参数。给出了在冰上丙酮的S-0的第一估计,其范围为0.004-0.043。

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