Macromolecular dimensions obtained by an efficient Monte Carlo method without sample attrition
Macromolecular dimensions obtained by an efficient Monte Carlo method without sample attrition
复制标题
通过有效的蒙特卡罗方法获得大分子尺寸，无需样品磨损
DOI：
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发表时间：
1975
期刊：
影响因子：
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通讯作者：
F. Mandel
中科院分区：
文献类型：
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作者：
F. T. Wall;F. Mandel
将蒙特卡罗方法应用于由晶格上的动态自回避随机链组成的模型，可以快速计算出具有固定轮廓长度的大分子链的统计维数。这种“滑动的蛇”模型包括将链的头部在晶格中移动一个空间，而链的所有其他元素沿着旧的轮廓向前移动。头的可能走法是随机选择的，但如果这种走法因双占而被排除，则保留旧的配置，头和尾互换，然后计算为已经走法。这种技术给出了无偏的统计结果，除了双盲囊的影响。该方法也可以应用于相互作用的链，无论是自由的还是局限在盒子里的。在无限空间中的两种不同浓度和在一个小盒子中的两种浓度下，对正方形平面晶格上的10链进行了计算。
The statistical dimensions of macromolecular chains of fixed contour length can be rapidly calculated by Monte Carlo methods applied to a model consisting of dynamic self‐avoiding random chains on a lattice. This ’’slithering snake’’ model involves moving the head of a chain one space in a lattice with all other elements of the chain moving forward along the old contour. Possible moves of the head are selected at random, but if such a move is precluded by double occupancy, the old configuration is retained, with head and tail interchanged, and then counted as if a move were made. This technique gives unbiased statistical results except for the effect of double cul‐de‐sacs. The method can also be applied to interacting chains, either free or confined to a box. Calculations have been made for 10‐link chains on a square planar lattice for two different concentrations in infinite space and for two concentrations in a small box.