Calculator Inputs
This page uses one main content column, while the form fields shift into 3, 2, and 1 columns across screen sizes.
Formula Used
DPn = (Mn - Mend) / M0
Lc = DPn × l0
Mchain = DPn × M0 + Mend
Rrms = l0 √DPn
Rg = Rrms / √6
⟨R²⟩ = 2LpLc[1 - (Lp/Lc)(1 - e-Lc/Lp)]
Rrms = √⟨R²⟩
Rg2 = LcLp/3 - Lp2 + 2Lp3/Lc - 2Lp4(1 - e-Lc/Lp)/Lc2
N = (msample / Mchain) × NA
These equations provide modeling estimates. Real polymer systems can deviate because of branching, solvent quality, tacticity, crystallinity, or measurement conditions.
How to Use This Calculator
- Enter a sample name if you want custom exports.
- Choose whether you know molecular weight or direct degree of polymerization.
- Provide repeat unit molecular weight and repeat unit length.
- Add end-group correction if your polymer chemistry requires it.
- Pick a conformation model. Use worm-like when stiffness matters.
- Enter persistence length for the worm-like model.
- Optionally enter sample mass to estimate molecule count and total aligned length.
- Set dispersity if you want an Mw estimate from Mn.
- Press the calculate button. The result section and graph will appear above the form.
Example Data Table
The values below are illustrative sample records for testing the calculator layout and export features.
| Sample | Mode | Mn (g/mol) | Repeat MW (g/mol) | Repeat Length (nm) | Model | DPn | Contour Length (nm) |
|---|---|---|---|---|---|---|---|
| Polymer A | Molecular weight | 120000 | 104.15 | 0.254 | Worm-like | 1151.22 | 292.41 |
| Polymer B | Molecular weight | 65000 | 72.06 | 0.220 | Freely jointed | 901.96 | 198.43 |
| Polymer C | Direct DP | — | 44.05 | 0.250 | Worm-like | 1500.00 | 375.00 |
FAQs
1) What does polymer chain length mean here?
Here it means estimated contour length, the fully extended length of one polymer chain. The page also estimates coil dimensions, which are usually much smaller than the contour length in real conditions.
2) Why are contour length and RMS distance different?
Contour length assumes a fully stretched chain. RMS end-to-end distance describes a coiled chain’s statistical size. Most polymers in ordinary conditions behave closer to the coil estimate than the fully extended contour value.
3) When should I use the worm-like model?
Use the worm-like model when chain stiffness matters or when you know persistence length. It is usually better for semi-flexible polymers than a freely jointed approximation.
4) What is the role of end-group correction?
End groups contribute mass but do not add full repeat units. Subtracting them in Mn mode gives a cleaner DP estimate. Adding them in direct DP mode rebuilds total chain molecular weight.
5) What does dispersity change in the output?
Dispersity connects Mn to Mw through Mw = Đ × Mn. It does not directly change contour length in this calculator, but it helps interpret how broad the molecular-weight distribution may be.
6) Is the number of chains exact?
No. It is an estimate based on sample mass and chain molecular weight. Experimental impurities, residual solvent, additives, or uncertainty in Mn can shift the true count.
7) Can I use direct DP without Mn?
Yes. In direct DP mode, the calculator can estimate chain molecular weight from repeat unit mass and end-group correction. That allows mass-per-chain and sample chain count calculations without entering Mn.
8) Does this replace experimental polymer characterization?
No. It is a modeling and planning tool. Use experimental techniques such as SEC, light scattering, intrinsic viscosity, or scattering methods when precise structural characterization is required.