Abstract

The paper illustrates a new way of using the CARSO procedure for response surfaces analyses derived from innovative experimental designs in multivariate spaces, based on Double Circulant Matrices (DCMs). We report a case study regarding a design based on a DCM for 4 variables. The final response surface model is obtained by the formerly developed CARSO method.

Highlights

  • Following our previous paper published on November 2012 [1], where we showed a strategy for collecting the data needed for defining a response surface on the basis of a D-optimal design, we present a further innovative strategy that requires a much lower number of experimental data, based on Double Circulant Matrices (DCMs)

  • The results of this first study based on collecting data on a DCM could not yet be used by the company for improving the quality of its products, the experience gained in this work will be helpful for testing what will happen with larger matrices

  • In particular we have clearly seen, just because we used all three sm.s, that each sm contains only one mixture giving good results, a second mixture with more or less fairly good ones, while the other two mixtures give low results. This result is not surprising: on the contrary it was somewhat expected, because each sm covers the 4D space in a regular circulant way, that creates a similar relative distance between objects, even if in different sectors of the hyperspace. If this will be proven to be true for larger matrices, as we expect, the problem of selecting the best couple might be abandoned, just because each sm to be added to the generating sequence can bring always the same type of global information

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Summary

Introduction

Following our previous paper published on November 2012 [1], where we showed a strategy for collecting the data needed for defining a response surface on the basis of a D-optimal design, we present a further innovative strategy that requires a much lower number of experimental data, based on Double Circulant Matrices (DCMs). The way mixtures are produced today is often based on established knowledge and tradition rather than on a scientific approach by statistical or chemometric strategies. Based on our previous experience in optimization procedures [5]-[9] we present a further innovative strategy for designing experiments in mixture analysis, by means of the DCMs, that have characteristics very similar to the requirements of Central Composite Designs (CCD), which represents the best way to gener-. (2014) Mixture Optimization by the CARSO Procedure and DCM Strategies. The final response surface model is obtained by the formerly developed CARSO method [5], where the surface equation is derived by a PLS model on the expanded matrix, containing linear, squared and bifactorial terms, and studied at extreme points by Lagrange analysis

Central Composite Design
Selection of Coded Values
Characteristics of DCMs
Selection of the Submatrices to Be Tested
Selection of the Best Couple of Submatrices
Optimization Study
Relationships between the Technological Properties
New Predictions
Study of the Coefficients of the Quadratic Equation
Further Predictions
Conclusions and Perspectives
Comparison of Predictions with 2 and 3 sm
Findings
Comparison between DCM4 and CCD4
Full Text
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