TITLE: Coal Liquefaction: Investigation of Reactor Performance, Role of Catalysts, and PCT Properties. Technical Progress Report.

AUTHOR: A. Brainard;   Y. Shah;   J. Tierney;   I. Wender;   S. Joseph.

INST.  AUTHOR: Pittsburgh Univ., PA. Dept. of Chemical and Petroleum Engineering.

SPONSOR: Department of Energy, Washington, DC.

LANGUAGE: English

PUB.  TYPE: Technical Report

PUB.  COUNTRY: United States

SOURCE: Department of Energy [DE],  Nov 85,  680p.

NTIS ORDER NO.: DE86004388/INW

ABSTRACT:

This report is divided into two sections plus an appendix. The first section reports on computerized simulations which were developed for three important coal liquefaction processes - the Mobil Methanol to Gasoline (MTG) process, the Fischer-Tropsch (F-T) process, and the synthesis of methanol. The models are designed to be general and information such as new kinetic equations or new physical property information can be readily added. Each of the models also provides for alternate reactor configurations. A comparison of results obtained using the models and results reported in the literature is included to verify the model.  Comparisons of alternate processing methods are also included to provide guidance in the selection of a reactor configuration for a specific process. Complete program listings are given in the Appendix, and sample problems with inputs and outputs are provided for the user. The programs are written in the FORTRAN language. It is ultimately desirable to make these models available in a form which can be used in ASPEN, the process simulator developed for DOE. As a first step, the use of ASPEN PLUS to predict thermodynamic and transport properties of systems of interest to coal liquefaction was studied. In the second section, five areas of potential importance to indirect and direct coal liquefaction are reviewed. They are the synthesis of methanol via methyl formate, the role of carbon dioxide in methanol synthesis, the synthesis of methanol using noble metal catalysts, the catalytic synthesis of higher alcohols from a new, high-yield sulfur-tolerant catalyst, and the direct liquefaction of coal mixed with heavy oils - so-called coprocessing. Seven papers in the two sections have been processed for inclusion in the Energy Data Base.  (ERA citation 11:026837)

REPORT  NUMBER: DOE/PC/60054-T9

CONTRACT  NUMBER: FG22-83PC60054