ACS PRF | ACS | All e-Annual Reports

Reports: AC9

Back to Table of Contents

43321-AC9
Improved Chemical Process Operations through Data-Based Disturbance Models

James B. Rawlings, University of Wisconsin

1. Estimating disturbance structures from data.
We consider the following linear, discrete time state space model:

x+ = Ax + B u + Gw
y = Cx + v

in which x is the state, u is the manipulated control input, and y is the measurement. The state at the next sample time is x+. The random variables w and v are the process and measurement noises, respectively. The noises w and v are assumed to be identically and independently distributed as normals with mean zero and covariances Q and R, respectively. The goal of state estimation is to determine the most likely value of the state x given the model (A, B, C, G, Q, R) and past and current measurements of y.

There are two challenges. For typical chemical processes, we do not know Q and R and must determine them from process operating data. Secondly, we often do not know the G matrix, and must determine that also from process operating data. The G matrix shapes the disturbance w entering the state. It is unlikely to have more than a few independent disturbances that affect the states. This would imply a tall G matrix with more rows than columns. In previous work in our group, the estimation of the covariances Q, R was presented. The estimation technique was based on the correlations between the measurements at different times. This technique and other previous techniques in the literature assume that the disturbance structure as given by the G matrix is known. In the absence of any knowledge about G the incorrect assumption that G is an identity matrix is often made, which implies that an independent disturbance enters each of the states.

Knowledge about the G matrix then helps improve the state estimator tuning and as a result the closed loop control performance. We developed a technique to find the structure of the G matrix from data and ensure that it represents the minimum number of independent disturbances entering the state. In addition we formulated the problem as a convex semidefinite optimization to enforce positive definite constraints on the estimated covariances. The estimated G matrix then provides both the smallest number of independent disturbances required to explain the operating data, and the structure of the disturbance. This work has appeared in 2009 in the journal Automatica and AIChE Journal [1-2].

2. Industrial Implementation
Industrial collaborations with ExxonMobil Chemicals and Eastman Chemicals have been established to implement the techniques developed in this grant. ExxonMobil Chemicals provided industrial operating data on a nonlinear blending drum that was being controlled for level and concentrations. The techniques in Section 1 was extended to nonlinear models and implemented on the blending tank data. Using a first principles based model for the blending tank, the covariances of the noises affecting the state and measurements were estimated. The estimated covariances were used to improve the state estimation part of the controller of this application and to obtain information about the structure of the G matrix. This work has been submitted for publication.

3. Nonlinear State Estimation
Nonlinear state estimation is a challenging systems theory problem. One approach to this problem receiving attention recently is particle filtering, which is a nonlinear state estimation technique based on Monte-Carlo type sampling. The drawback of particle filtering is the lack of robustness in the presence of unmodelled disturbances or poor initial guesses. Another option is moving horizon estimation, which is a robust optimization based state estimation technique. The nonlinear optimization may be prohibitively expensive, however, for online use in state estimation. As part of this research, the combination of a particle filter with moving horizon estimation was evaluated as a better alternative than either method alone. This combination of methods showed good results for both unmodelled disturbances and for poor guesses for the initial state.

This work has been presented at the 2008 annual AIChE meeting and 2008 Sandia Workshop on Large-Scale Inverse Problems. It will be submitted this year for publication [3-4].

[1] Rajamani, M. R., J. B. Rawlings, and S. J. Qin. Achieving state estimation equivalence for misassigned disturbances in offset-free model predictive control. AIChE J., 55(2):396-407, February 2009.
[2] Rajamani, M. R. and J. B. Rawlings. Estimation of the disturbance structure from data using semidefinite programming and optimal weighting. Automatica, 45:142-148, 2009.
[3] Rawlings, J. B. and M. R. Rajamani. A hybrid approach for state estimation: Combining moving horizon estimation and particle filtering. In Sandia CSRI Workshop, Large-Scale Inverse Problems and Quantification of Uncertainty, Santa Fe, New Mexico, September 2007.
[4] Lima, F. V. and J. B. Rawlings. Nonlinear stochastic modeling for state estimation of an industrial polymerization reactor. In AIChE Annual Meeting, Philadelphia, November 2008.

Back to top