Markup language for chemical process control and simulation

Abstract

Exothermic reactions can yield different products, depending upon the available heat energy, a consequence of the reaction rate. To control the yield of desired products, control of the rate of temperature rise is used. The acceptable range of temperature vs. time can be expressed in various ways, e. g., functions, individual temperature values. To afford humans this variety, and to facilitate the transfer of data among computational tools from multiple vendors, such as calorimetry and analysis tools, use of semantic labels, compatible with existing tools, has been implemented. An extension of XML to support expression of the range of acceptable temperature behavior vs. time as a reaction proceeds is described herein. A markup language organized to express the rich ontology of concepts used in process safety seems warranted, and though chemistry schema exist, none was found that specified the reactor temperature boundaries concept. We propose schema components for this concept.