The proton chemical shift of supercritical water is analyzed by computer si
mulations with emphasis on its relationship to the number of hydrogen bonds
per water molecule and the dipole moment of a water molecule. The chemical
shift is shown to be proportional to the number of hydrogen bonds, and the
dipole moment of a water molecule at supercritical states is estimated wit
hin the simple point charge (SPC)- like and TIP4P-like frameworks of the wa
ter intermolecular potential model. The dipole moment can then be used to c
onstruct an effective potential model suitable for simulating supercritical
water. The radial and orientational correlations in supercritical water ar
e examined using the effective potential model. (C) 1999 American Institute
of Physics. [S0021-9606(99)51116-1].