117 lines
3.4 KiB
Fortran
117 lines
3.4 KiB
Fortran
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!
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!=======================================================================
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!
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MODULE PACKING_FRACTION
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!
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USE ACCURACY_REAL
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!
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!
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CONTAINS
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!
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!=======================================================================
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!
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FUNCTION PACK_FRAC_3D(N0,DIA,PF_TYPE)
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!
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! This function computes the 3D packing fraction of a hard-sphere fluid
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!
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! References: (1) J.-M. Bomont and J.-L. Bretonnet,
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! Chem. Phys. 439, 85-94 (2014)
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!
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!
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! Input parameters:
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!
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! * N0 : number density ! in same
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! * DIA : diameter of particles ! units
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! * PF_TYPE : type of packing fraction
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! PF_TYPE = 'HSM' --> hard sphere model
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! PF_TYPE = 'RCP' --> random closed-packed
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! PF_TYPE = 'FCC' --> FCC closed-packed
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! PF_TYPE = 'FRE' --> freezing
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! PF_TYPE = 'MEL' --> melting
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!
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!
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! Output parameters:
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!
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! * PACK_FRAC_3D
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!
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!
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!
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! Author : D. Sébilleau
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!
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! Last modified : 9 Dec 2020
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!
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!
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USE REAL_NUMBERS, ONLY : TWO,SIXTH
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USE PI_ETC, ONLY : PI
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USE SQUARE_ROOTS, ONLY : SQR2
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!
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IMPLICIT NONE
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!
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CHARACTER (LEN = 3) :: PF_TYPE
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!
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REAL (WP), INTENT(IN) :: N0,DIA
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REAL (WP) :: PACK_FRAC_3D
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!
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IF(PF_TYPE == 'HSM') THEN !
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PACK_FRAC_3D = PI * N0 * DIA * DIA * DIA * SIXTH !
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ELSE IF(PF_TYPE == 'RCP') THEN !
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PACK_FRAC_3D = 0.64E0_WP !
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ELSE IF(PF_TYPE == 'FCC') THEN !
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PACK_FRAC_3D = PI * SQR2 * SIXTH !
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ELSE IF(PF_TYPE == 'FRE') THEN !
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PACK_FRAC_3D = 0.494E0_WP !
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ELSE IF(PF_TYPE == 'MEL') THEN !
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PACK_FRAC_3D = 0.545E0_WP !
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END IF !
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!
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END FUNCTION PACK_FRAC_3D
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!
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!=======================================================================
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!
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FUNCTION PACK_FRAC_2D(N0,DIA,PF_TYPE)
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!
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! This function computes the 2D packing fraction of a hard-sphere fluid
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!
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! References: (1) R. Garcia-Rojo, S. Luding and J. J. Brey,
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! Phys. Rev. E 74, 061395 (2006)
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!
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!
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! Input parameters:
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!
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! * N0 : number density ! in same
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! * DIA : diameter of disks ! units
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! * PF_TYPE : type of packing fraction
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! PF_TYPE = 'HDM' --> hard disk model
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!
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!
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! Output parameters:
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!
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! * PACK_FRAC_2D
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!
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!
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!
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! Author : D. Sébilleau
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!
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! Last modified : 10 Jun 2020
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!
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!
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USE REAL_NUMBERS, ONLY : FOURTH
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USE PI_ETC, ONLY : PI
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!
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IMPLICIT NONE
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!
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CHARACTER (LEN = 3) :: PF_TYPE
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!
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!
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REAL (WP), INTENT(IN) :: N0,DIA
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REAL (WP) :: PACK_FRAC_2D
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!
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IF(PF_TYPE == 'HDM') THEN !
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PACK_FRAC_2D = PI * N0 * DIA * DIA * FOURTH !
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END IF !
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!
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END FUNCTION PACK_FRAC_2D
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!
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END MODULE PACKING_FRACTION
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