Type | Visibility | Attributes | Name | Initial | |||
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real(kind=pr), | public, | allocatable | :: | Tref(:,:) | |||
logical, | public | :: | dn2 | = | .false. |
Calculate second order derivatives |
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real(kind=pr), | public, | allocatable | :: | k(:,:) |
Attractive Binary Interatction parameter matrix |
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real(kind=pr), | public, | allocatable | :: | k0(:,:) | |||
real(kind=pr), | public, | allocatable | :: | l(:,:) |
Repulsive Binary Interatction parameter matrix |
Repulsive parameter mixing rule
Mixture repulsive parameter.
Type | Intent | Optional | Attributes | Name | ||
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class(QMR), | intent(in) | :: | self |
Mixing rule object. |
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real(kind=pr), | intent(in) | :: | n(:) |
Moles vector. |
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real(kind=pr), | intent(in) | :: | bi(:) |
Pure components repulsive parameters. |
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real(kind=pr), | intent(out) | :: | B |
Mixture repulsive parameter. |
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real(kind=pr), | intent(out) | :: | dBi(:) |
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real(kind=pr), | intent(out) | :: | dBij(:,:) |
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Constant parameter.
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
class(QMR), | intent(in) | :: | self |
Mixing rule |
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real(kind=pr), | intent(in) | :: | n(:) |
Moles vector |
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real(kind=pr), | intent(in) | :: | d1i(:) |
parameter |
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real(kind=pr), | intent(out) | :: | D1 |
Mixture’s |
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real(kind=pr), | intent(out) | :: | dD1i(:) |
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real(kind=pr), | intent(out) | :: | dD1ij(:,:) |
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Attractive parameter mixing rule
Attractive parameter mixing rule with quadratic mix.
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
class(QMR), | intent(in) | :: | self |
Mixing rule object. |
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real(kind=pr), | intent(in) | :: | n(:) |
Moles vector [mol] |
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real(kind=pr), | intent(in) | :: | T |
Temperature [K] |
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real(kind=pr), | intent(in) | :: | ai(:) |
Pure components attractive parameters |
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real(kind=pr), | intent(in) | :: | daidt(:) |
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real(kind=pr), | intent(in) | :: | daidt2(:) |
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real(kind=pr), | intent(out) | :: | D |
Mixture attractive parameter |
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real(kind=pr), | intent(out) | :: | dDdT |
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real(kind=pr), | intent(out) | :: | dDdT2 |
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real(kind=pr), | intent(out) | :: | dDi(:) |
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real(kind=pr), | intent(out) | :: | dDidT(:) |
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real(kind=pr), | intent(out) | :: | dDij(:,:) |
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Combining rule that uses temperature dependant values. With the following expression:
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
class(QMRTD), | intent(in) | :: | self | |||
real(kind=pr), | intent(in) | :: | T |
Temperature [K] |
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real(kind=pr), | intent(in) | :: | a(:) |
Pure components attractive parameters (\a_i) |
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real(kind=pr), | intent(in) | :: | dadt(:) |
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real(kind=pr), | intent(in) | :: | dadt2(:) |
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real(kind=pr), | intent(out) | :: | aij(:,:) |
Matrix |
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real(kind=pr), | intent(out) | :: | daijdt(:,:) |
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real(kind=pr), | intent(out) | :: | daijdt2(:,:) |
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