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However, some of the early successes of molecular engineering have come in the fields of immunotherapy, synthetic biology, and printable electronics (see molecular engineering applications). Molecular engineering is a dynamic and evolving field with complex target problems; breakthroughs require sophisticated and creative engineers who are ...
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Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. [1] The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies.
The Flory–Fox equation relates the number-average molecular weight, M n, to the glass transition temperature, T g, as shown below: =, where T g,∞ is the maximum glass transition temperature that can be achieved at a theoretical infinite molecular weight and K is an empirical parameter that is related to the free volume present in the polymer sample.
Molecular electronics is the study and application of molecular building blocks for the fabrication of electronic components. It is an interdisciplinary area that spans physics, chemistry, and materials science. The unifying feature is use of molecular building blocks to fabricate electronic components.
In two papers outlining his "theory of atomicity of the elements" (1857–58), Friedrich August Kekulé was the first to offer a theory of how every atom in an organic molecule was bonded to every other atom. He proposed that carbon atoms were tetravalent, and could bond to themselves to form the carbon skeletons of organic molecules.
The various branches of the DEM family are the distinct element method proposed by Peter A. Cundall and Otto D. L. Strack in 1979, [5] the generalized discrete element method, [6] the discontinuous deformation analysis (DDA) and the finite-discrete element method concurrently developed by several groups (e.g., Munjiza and Owen).
M n is the number average molecular weight, M w is the weight average molecular weight, M o is the molecular weight of the repeating monomer unit, Đ is the dispersity index. (formerly known as polydispersity index, symbol PDI) The last equation shows that the maximum value of the Đ is 2, which occurs at a monomer conversion of 100% (or p = 1 ...