SPECIFICATIONS FOR A NEW JACOBIAN PACKAGE FOR THE RAND CHEMICAL EQUILIBRIUM PROGRAM,

Abstract

This study describes and gives instructions for using a new and improved Jacobian package consisting of a group of subroutines for RAND's chemical equilibrium program. This new package, which has a much greater scope than the earlier version, computes Jacobian matrices consisting of partial derivatives of certain quantities in the solution of a model (dependent variables) with respect to certain parameters in the model (independent variables). With the use of these derivatives, it is possible to predict how a change in a model parameter can affect the model solution. In many cases the user can obtain a good approximation for how much effect a certain type of change will have without resolving the problem. The derivatives might be used, for example, to see how much the pH of a model might change with an increase in the pressure of carbon dioxide, or with an increase in the amount of sodium hydroxide. (Author)

Document Details

Document Type
Technical Report
Publication Date
Jan 01, 1968
Accession Number
AD0664881

Entities

People

  • James Dehaven
  • Leola Cutler
  • Marian Shapley
  • Norman Shapiro

Organizations

  • RAND Corporation

Tags

DTIC Thesaurus Topics

  • Carbon Dioxide
  • Chemical Compounds
  • Chemical Equilibrium
  • Hydroxides
  • Instructions
  • Procedures (Computers)
  • Sodium
  • Sodium Hydroxide
  • Specifications

Fields of Study

  • Mathematics

Readers

  • Computer Science.
  • Linear Algebra
  • Organic Chemistry