Page 368 - Handbook Of Multiphase Flow Assurance

Computer code (Makogon, 1994, 1997) 367

if itime>nequil then
begin
write(f2,'Step ',itime:4,' : ');
write(ttyout,'Step ',itime:4,' : ');
for i:=1 to nmax do
begin
write(f2,rdist[i]:3,' ');
write(ttyout,rdist[i]:3,' ');
end;
writeln(f2);
writeln(ttyout);
end;
end; {end of itime loop}
close(f2);

end.

Monte Carlo program for polymer adsorption on hydrate
Files required for using this program include:

– pm3n.hyd or fd3m.hyd - sI or sII unit cell data;
– .MSI Cerius2® file - polymer coordinates and charges;
The above files are available on crystal.mines.edu computer.
Input file is optional and can be piped to the program instead of manually inputting the
simulation parameters.

C version 1.0
C Monte Carlo for monomer against a rectangular lattice
C surface of water molecules
C J. M. Haile February 1996
C version 2.0
C subroutine for generating the hydrate surface was added and the
C boundary conditions routine was modified to be able to handle
C rhombic boundaries Taras Makogon, April 1996
C
C version 3.0
C all subroutines were rewritten for polymer simulation
C The program was used on IBM RS-6000, IBM-PC and SGI computers.
C The I/O statements which need to be chosen for different FORTRAN
C compilers are commented out with “ccc” or are right next to those.
C T. Makogon, September 1996
C-------------------------------------------------------------------