detector trace
| compound | tR (min) | Area | \(k\) | wb (s) | resolution to next peak |
|---|
| compound | tR (min) | Area | \(k\) | wb (s) | resolution to next peak |
|---|
This simulation combines four standard relationships from gas–liquid chromatography theory. The numbers are chosen for clear, physically reasonable teaching behavior rather than to match a specific real column and compound set.
Each compound spends the dead time \(t_M\) moving through the column with the carrier gas, plus additional time held up by the stationary phase, set by its capacity (retention) factor \(k\):
\(t_R\) retention time · \(t_M\) dead (hold-up) time · \(k\) capacity factor · \(K\) partition coefficient · \(V_S, V_M\) stationary- and mobile-phase volumes.
The partition coefficient follows a van't Hoff-type relationship, so \(k\) falls roughly exponentially as the column heats up. Compounds with a larger effective enthalpy of retention \(\Delta H^{\circ}\) (heavier, or a better polarity match to the stationary phase) are more sensitive to temperature — which is why raising the oven temperature compresses the peaks toward each other rather than shifting them all by the same amount:
Band broadening is described by the height equivalent to a theoretical plate, \(H\). It depends on the carrier-gas linear velocity \(u\) through three competing mechanisms: eddy mixing (\(A\)), longitudinal molecular diffusion (\(B/u\)), and finite mass-transfer rate between phases (\(Cu\)):
The flow-rate slider sets \(u\) from the volumetric flow \(F\) and the column's internal diameter \(d_c\):
Each peak is modeled as a Gaussian of width set by the local plate count, giving the peak's standard deviation and baseline width:
Resolution combines efficiency (\(N\)), selectivity between the two compounds (\(\alpha\), set by how differently the column retains them), and how strongly the later peak is retained (\(k_2\)):
Rule of thumb used for the table's status color: \(R_s \ge 1.5\) baseline resolved, \(1.0 \le R_s < 1.5\) partially resolved, \(R_s < 1.0\) not resolved.
The flow-rate slider changes \(u\), which moves you along the van Deemter curve for the selected column — changing \(N\) and every peak width. The temperature slider changes every \(k\) through the van't Hoff relation above. The column choice sets the van Deemter coefficients \(A\), \(B\), \(C\), the internal diameter \(d_c\), and how strongly the stationary phase's polarity interacts with each compound's polarity — which sets both the elution order and the selectivity \(\alpha\) between compounds. The final trace sums each compound's Gaussian peak:
This simulation was created in the Department of Chemical and Biological Engineering at the University of Colorado Boulder for LearnChemE.com by John L. Falconer using Claude AI, and it was prepared with financial support from the National Science Foundation (DUE 2336987 and 2336988); address any questions or comments to LearnChemE@gmail.com.