真实溶剂似导体屏蔽模型(COSMO-RS,Conductor-likescreening model for real solvents)是Klamt等在连续介质溶剂化模式COSMO的基础上,结合统计力学方法发展起来的定量计算溶剂化现象的新方法。本文简单介绍了COSMO-RS的基本原理、概念,以及应用该模式的基本步骤。综述了COSMO-RS应用于离子性化合物、聚合物溶液体系、高温高压体系以及预测复杂生物体系的分配系数和药物设计的进展。评述了简化分子表面屏蔽电荷分布计算的COSMOfrag和GC-COSMO(group contribution COSMO)方法,对不同版本的COSMO-RS之间以及其与基团贡献方法的对比研究也作了详细的讨论,并指出了COSMO-RS的不足之处和进一步发展该模式的建议。
Large amount of chemicals and highly purified-water are needed in microelectronic manufacture. The ability of solutions to penetrate tiny spaces will become significantly more challenging as the feature size of semiconductor devices decreases to nanoscale dimensions and the functional complexity of integrated circuitries (ICs) ever increases. Supercritical fluids (SCFs) possess a unique combination of properties (no surface tension and gas-like viscosity) that can potentially be exploited for application in microelectronics manufacturing and processing in response to needs for material-compatible cleaning systems, small-dimension developing solvents, and low chemical-use processes. Recent microelec- tronics processes for cleaning and rinsing of patterned porous low-k dielectrics and drying of photo- resist in CO2-based solvents are the main focus of this review. Additional topics in supercritical fluid processing include spin coating of photoresists, development with nanoscale dimensions, metal deposition and silylation.
