2022: SklogWiki celebrates 15 years on-line

TIP4P/ε water model

From SklogWiki
(Redirected from TIP4P/epsilon)
Jump to: navigation, search

The TIP4P/ε model [1] is a re-parameterisation of the original TIP4P potential for simulations of water. TIP4P/ε is a rigid planar model, having a similar geometry to that of the Bernal and Fowler model.

Parameters[edit]

The TIP4P/ε model consists of a Lennard-Jones site for the oxygen atom, and three charge sites.

Four site water model.png


r_{\mathrm {OH}} (Å) \angleHOH , deg \sigma (Å) \epsilon/k_B (K) q(O) (e) q(H) (e) q(M) (e) r_{\mathrm {OM}} (Å)
0.9572 104.52 3.165 93.0 0 0.527 -2q(H) 0.105

The TIP4P/ε model has a dipole moment of 2.4345 D. (Ref. 1 Table I).

References[edit]

Related reading
40px-Stop hand nuvola.svg.png This page contains numerical values and/or equations. If you intend to use ANY of the numbers or equations found in SklogWiki in any way, you MUST take them from the original published article or book, and cite the relevant source accordingly.