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- W1993466741 abstract "In this paper the morphology of crystals of triclinic even n-alkanes over a range of chain lengths with 10 ≤ n ≤ 36 is studied theoretically and experimentally. Using the Buckingham potential for C-C, H-H and C-H interatomic interactions between neighboring molecules, the overall interaction energies between n-alkane molecules are calculated. Five types of important lateral interactions and three vertical interactions are identified from the structure. From these, a crystal graph with primitive cell is obtained. Thirteen connected nets corresponding to thirteen F forms, {001}, {010}, {011}, {100}, {101}, {111}, {110}, {111}, {111}, {110}, {121}, {122} and {120}, are derived from the crystal graph. The dimensionless roughening transition temperatures of the faces are calculated. It follows that a phase diagram of the relative roughening temperature in dependence of n is obtained. To predict the theoretical growth forms, several recipes inspired by Ising models, the Hartman-Perdok and the Donnay-Harker theory are applied to the n-paraffins series. It turns out that crystals of triclinic even n-paraffins have the shape of long flat needles and are bounded by large faces of the form {001} and the narrow, long side faces of {010}, with the small {100} faces at the top of the needle. Some experiments were carried out to study the morphology and the roughening transition of n-C24 and n-C16 crystals in n-hexane and other systems. The predicted and observed results agree quite well." @default.
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- W1993466741 date "1994-01-01" @default.
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- W1993466741 title "On the morphology of crystals of triclinic even normal alkanes: theory and observation" @default.
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- W1993466741 doi "https://doi.org/10.1016/0022-0248(94)90743-9" @default.
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