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- W2022038773 abstract "Abstract We have derived the full single chain density of states for membrane systems ω(e, a ) where e is the isomeric energy and a is the area of the configuration. Since there is no analytic relation between the area and a particular bond sequence it is necessary to assign an area for each chain configuration. Due to the large number of isomeric states (e.g. for a chain with 16 carbons there are ∼5 × 106 distinct configurations), we found it necessary to perform the calculation on the computer. In order to avoid having to evaluate each distinct state, we used a Monte Carlo sampling technique which we found converged very rapidly. Our Monte Carlo calculation of the area distribution of the complete set of isomeric states is the first determination of the full single chain density of states. Due to the complexity of the internal coordinates of the chains and the importance of packing considerations, the knowledge of m (e, a) is very important to the understanding of the physical properties of the bilayer. For example, we found that chain configurations statistically tend to have an elongated shape quite independently of interactions between chains. As examples of the usefulness of ω (e, a ) we have calculated an upper bound on the entropy change of the phase transition given ω (e, a ), the X-ray long spacing of a system of non-interacting chains (i.e. no steric interactions), and the n.m.r. order parameter for non-interacting chains. The quantitative and qualitative agreement of these calculated values with experiment is discussed." @default.
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- W2022038773 date "1981-02-01" @default.
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- W2022038773 title "Determination of the single chain density of states for membrane systems" @default.
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- W2022038773 doi "https://doi.org/10.1016/0022-5193(81)90245-9" @default.
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