Page 399 - Handbook Of Multiphase Flow Assurance

398 10. Research methods in flow assurance

C of a water, based on whether an image is used for the
C oxygen atom
C
Xij = xi - xa
Yij = yi - ya
C
DO 12 K = 1,2
xwxa(K) = xw(Iw,K) - xa
ywya(K) = yw(Iw,K) - ya
zwza(K) = zw(Iw,K) - za
12 CONTINUE
C do actual adjustment of hydrogens' positions
if (ap.eq.1) then
C we are dealing with [100] or [110] hydrate surface - a rectangular box
IF (yij .GT. ymaxh) THEN
ywya(1) = ywya(1) - ymax
ywya(2) = ywya(2) - ymax
ENDIF
C
IF (yij .LT.-ymaxh) THEN
ywya(1) = ywya(1) + ymax
ywya(2) = ywya(2) + ymax
ENDIF
C
IF (xij .GT. xmaxh) THEN
xwxa(1) = xwxa(1) - xmax
xwxa(2) = xwxa(2) - xmax
ENDIF
C
IF (xij .LT.-xmaxh) THEN
xwxa(1) = xwxa(1) + xmax
xwxa(2) = xwxa(2) + xmax
ENDIF
endif
C
if(AP.EQ.2) THEN
C We are using [111] surface - rhombic boundaries
IF (Yij .GT. ymaxh) then
ywya(1) = ywya(1) - ymax
ywya(2) = ywya(2) - ymax
xwxa(1) = xwxa(1) - xmaxh
xwxa(2) = xwxa(2) - xmaxh
Xij = Xij - xmaxh
ENDIF
C