Page 135 -
P. 135

Gibbs energy against a reaction coordinate is          where x ≥ 0,
                 known as a Gibbs-energy profile; such plots,
                 unlikepotential-energyprofiles, aretemperature-  {x(i, j) : j in T }≤ s(i) for all i in S,
                                                                j
                 dependent.

                   In principle, the expressions for k above must  {x(i, j) : i in S}≥ d(j) for allj in T.
                                                                i
                 be multiplied by a transmission coefficient, κ,
                 which is the probability that an activated com-  The decision variables (x) are called flows, and
                 plex forms a particular set of products rather than  the two classes of constraints are called supply
                 revertingtoreactantsorformingalternativeprod-  limits and demand requirements, respectively.
                 ucts.                                     (Some authors use equality constraints, rather
                                               ‡
                                                  0
                                          ‡ 0
                   It is to be emphasized that   S ,  H , and  than the inequalities shown.) An extension is
                  ‡
                     0
                   G occurring in the former three equations  the capacitated transportation problem, where
                 are not ordinary thermodynamic quantities, since  the flows have bounds x ≤ U.
                 one degree of freedom in the activated complex
                 is ignored.                               transpose (of a matrix [a ])  The matrix
                                                                                 ij
                   Transition-state theory has also been known  [a ].
                                                            ji
                 as the absolute rate theory, and as activated-
                 complex theory, but these terms are no longer  transposition theorem  Same as a theorem
                 recommended.                              of the alternative.
                 transition structure  A saddle point on a
                                                           transshipment problem   This is an exten-
                 potential-energy surface. It has one negative
                 force constant in the harmonic force constant  sion of the transportation problem whereby the
                                                           network is not bipartite. Additional nodes serve
                 matrix. See also transition state.
                                                           as transshipment points, rather than providing
                                                           supply or final consumption. The network is
                 translation  The action of a group (V, +)
                                                           N = [V, A], where V is an arbitrary set of nodes,
                 regarded as a group of transformations onV itself
                                                           except that it contains a nonempty subset of sup-
                 through the action T : V × V → V given by
                                                           ply nodes (where there is external supply) and a
                            T : (T, v)  → v + T.           nonempty subset of demand nodes (where there
                                                           is external demand). A is an arbitrary set of arcs,
                                               n
                 transport equation  Let U ⊂ R be open     and there could also be capacity constraints.
                 and u : U × R → R. The (linear) transport
                 equation for u is                         traveling salesman problem (TSP)  Given
                                                           n points and a cost matrix, [c(i, j)], a tour is
                                 n
                                    i
                            u +    b u = 0.                a permutation of the n points. The points can
                             t        x i
                                i=1                        be cities, and the permutation the visitation of
                                                           each city exactly once, then returning to the
                 transportation problem   Find a flow of    first city (called home). The cost of a tour,
                 least cost that ships from supply sources to con-  /i ,i , ..., i n−1 ,i ,i 0, is the sum of its costs:
                                                                        n
                                                                          1
                                                            1
                                                              2
                 sumer destinations. This is a bipartite network,
                       ∗
                 N = [S T, A], where S is the set of sources, T is  c(i ,i ) + c(i ,i ) + ... + c(i n−1 ,i ) + c(i ,i ),
                                                               2
                                                                     2
                                                             1
                                                                                               1
                                                                                            n
                                                                        3
                                                                                      n
                 the set of destinations, and A is the set of arcs. In
                 the standard form, N is bi-complete (A contains  where (i ,i , ..., i ) is apermutation of {1, ..., n}.
                                                                 1
                                                                         n
                                                                   2
                 all arcs from S to T ), but in practice networks  The TSP is to find a tour of minimum total cost.
                 tend to be sparsely linked. Let c(i, j) be the unit  The two common integer programming formula-
                 cost of flow from i in S to j in T , s(i) = supply  tions are:
                 at ith source, and d(j) = demand at jth destina-  ILP: min    ij  c x : x ∈ P, x ∈{0, 1}
                                                                          ij ij
                                                                                      ij
                 tion. Then, the problem is the linear program  Subtour elimination constraints:
                                                                                             i,j∈V
                                                           x
                                                            ij  ≤|V |− 1 for ∅ = V ⊂{1,...,n} (V  =
                  Minimize    {c(i, j)x(i, j) : i in S, j inT }  {1,...,n})
                             ij
           © 2003 by CRC Press LLC
           © 2003 by CRC Press LLC
   130   131   132   133   134   135   136   137   138   139   140