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Chemical Process Yield Optimization

Sequential design-of-experiments case study in R.

Overview

Individual graduate applied-statistics project focused on improving the yield of an instructor-provided chemical-process model.

I designed and analyzed six sequential experiments under a 75-run budget. Each experiment informed the next, moving from broad eight-factor screening to a focused response-surface study and confirmation testing.

Result: improved confirmed mean yield from an approximately 50% baseline to 90.88%.

Objective

Identify influential process factors and determine a high-yield operating region while using limited experimental runs efficiently.

Experimental Strategy

The process included eight continuous factors, labeled A through H.

  1. Initial screening: 16-run Resolution IV fractional-factorial design across eight factors
  2. Follow-up factorial: 8-run study focused on B, D, and F
  3. B-level refinement: 4-run comparison to refine factor B
  4. Regional factorial study: 8-run factorial design plus 4 center-point replicates for B, E, and G
  5. Response-surface expansion: 6 axial runs completing a face-centered central composite design
  6. Confirmation: 12 independent runs at the selected operating setting

Total experimental runs used: 58 of 75 available

Methods

  • Fractional-factorial screening
  • Lenth's pseudo standard error for unreplicated designs
  • Factorial effect and interaction analysis
  • Center-point analysis
  • Face-centered central composite design
  • Quadratic response-surface modeling
  • Stationary-point analysis
  • Confirmation runs with confidence and prediction intervals

Key Results

Metric Result
Experimental-run budget 75 runs
Experimental runs used 58 runs
Selected confirmation setting B = 5, E = 7.5, G = 5
Quadratic-model predicted yield 91.54%
Confirmation-run mean yield 90.88%
95% confidence interval for mean yield 89.94% to 91.82%
95% prediction interval for one future run 87.51% to 94.25%

The quadratic response-surface model identified a promising operating region rather than a clean interior optimum. The stationary point was classified as a saddle point, so the selected setting was validated through independent confirmation runs.

Key Visuals

Predicted Yield Contours

The contour plot shows modeled yield across factors B and E while holding G at 5. The black point marks the selected confirmation setting.

Predicted yield contours

Confirmation Runs

Twelve confirmation runs at the selected setting produced a mean yield of 90.88%.

Confirmation runs

Repository Structure

r/
  01_initial_screening.R
  02_follow_up_factorial.R
  03_b_refinement.R
  04_factorial_center_points.R
  05_axial_runs.R
  06_quadratic_response_surface.R
  07_confirmation_runs.R
  08_generate_portfolio_outputs.R

outputs/
  figures/
    confirmation_runs.png
    predicted_yield_contours.png
  tables/
    key_results.csv

run_all.R

Reproduce the Analysis

Open the project in RStudio and run:

source("run_all.R")
source("r/08_generate_portfolio_outputs.R")

All response data are embedded in the scripts, so the analysis can be reproduced without external files.

Tools

R, experimental design, factorial analysis, response-surface methodology, regression diagnostics, and data visualization.

Full Technical Report

Download the complete applied-statistics report (PDF)

Note

This is an educational case study based on an instructor-provided chemical-process model. It is not a real industrial deployment or production recommendation.

Author

Ali Hasanov

About

Sequential design-of-experiments and response-surface optimization study in R.

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