SPCP model of water
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This article is a 'stub' about
water
and/or
ice
. It has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add material to this article, remove the {{Stub-water}} template from this page.
SPCP
is a
SPC
-like model of
water
.
Parameters
parameter
value
σ
{\displaystyle \sigma }
−
−
−
Å
{\displaystyle ---{\mathrm {\AA} }}
ϵ
{\displaystyle \epsilon }
−
−
−
{\displaystyle ---}
kJ mol
-1
r
O
H
{\displaystyle r_{\mathrm {OH} }}
−
−
−
Å
{\displaystyle ---\mathrm {\AA} }
∠
H
O
H
{\displaystyle \angle _{\mathrm {HOH} }}
−
−
−
∘
{\displaystyle ---^{\circ }}
q
O
{\displaystyle q_{\mathrm {O} }}
−
−
−
−
e
{\displaystyle ----e}
q
H
{\displaystyle q_{\mathrm {H} }}
q
O
/
2
{\displaystyle q_{\mathrm {O} }/2}
(charge neutrality)
References
Peter Ahlström, Anders Wallqvist, Sven Engström and Bo Jönsson "A molecular dynamics study of polarizable water", Molecular Physics
68
pp. 563-581 (1989)
Categories
:
Water stub
Stub pages
Water
Models
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