Thermochemical and Thermophysical Properties of Organic Compounds Found in Fossil Substances

摘要

Severe problems are encountered in the processing of alternate feedstocks because these materials contain multi-ring high molecular weight substances which are hydrogen deficient and contain heteroatoms. This project provides key information for both determining the thermodynamically optimum conditions for the operation of existing processes and for the development of new processes for the conversion of thse materials to viable products. The results are used to determine conditions where desired chemical reactions are favorable and to provide predictions of properties required for the design of equipment for the separation and distribution of the products within the processing streams. The objective is to provide, interpret, and correlate with molecular structure and polarity of molecules, accurate values of the thermochemical and thermophysical properties of organic compounds that occur in fluids derived from coal liquefaction, heavy petroleum, heavy ends of light petroleum, and shale oil. These compounds include those of oxygen, nitrogen, and sulfur, as well as important hydrocarbons. This status report provides summaries of data acquired and equipment developed for: vapor pressures studies; enthalpy of combustion studies; adiabatic heat capacity studies; Raman and infrared spectroscopy studies and statistical mechanics; densimetry; and differential scanning calorimetry studies. Application of results and future work are also presented. 20 refs., 6 figs., 3 tabs. (ERA citation 12:000993)