Estimation of Physical Properties

Study on Interfacial Mass Transport and Process Intensification for Ionic Liquid [BMIM]Br Synthesis

“…The Ha applied to the system described herein can be expressed as H a = k normalR ′ · D MIM , IL K MIM , IL D MIM,IL is the diffusion coefficient of MIM in the IL product phase, which is calculated based on the law of Stokes and Einstein …”

“…D MIM,IL is the diffusion coefficient of MIM in the IL product phase, which is calculated based on the law of Stokes and Einstein. 48 K MIM,IL is the mass transfer coefficient for the transport of MIM from the product phase to the alkylating agent phase (AA), and it can be approximated as K MB . In this study, the Ha number for the reaction system is about 0.9, thereby indicating that the interfacial mass transfer is the rate limiting step in the reaction process.…”

Assessment of the SM12, SM8, and SMD Solvation Models for Predicting Limiting Activity Coefficients at 298.15 K

“…This is of particular interest in separation processes, as they may account for 40-70 percent of the capital and operating cost of a chemical plant [26]. Predictive computational tools have become an essential asset in conducting feasibility and comparative studies, as they are significantly quicker and more cost-efficient than experimental determinations [27]. They are necessary when property data is unavailable, specifically in the case of dealing with new products and compounds.…”