A procedure for maximization of the density of entropy production in a single stationary two-step enzyme reaction is developed. Under the constraints of mass conservation, fixed equilibrium constant of a reaction and fixed products of forward and backward enzyme rate constants the existence of maximum in the density of entropy production is demonstrated. In the state with maximal density of entropy production the optimal enzyme rate constants, the stationary concentrations of the substrate and the product, the stationary product yield as well as the stationary reaction flux are calculated. The test, whether these calculated values of the reaction parameters are consistent with their corresponding measured values, is performed for the enzyme Glucose Isomerase. It is found that calculated and measured rate constants agree within an order of magnitude, whereas the calculated reaction flux and the product yield differ from their corresponding measured values for less than 20 % and 5 %, respectively. This indicates that the enzyme Glucose Isomerase, considered in a non-equilibrium stationary state, as found in experiments using the continuous stirred tank reactors, possibly operates close to the state with the maximum in the density of entropy production.

译文

开发了一种在单个固定的两步酶反应中最大化熵产生密度的程序。在质量守恒的约束下,反应的固定平衡常数以及正向和反向酶速率常数的固定产物证明了熵产生密度的最大值。在熵产生密度最大的状态下,计算最佳酶速率常数,底物和产物的固定浓度,固定产物产率以及固定反应通量。对葡萄糖异构酶进行测试,测试这些反应参数的计算值是否与其相应的测量值一致。发现计算的和测量的速率常数在一个数量级内一致,而计算的反应通量和产物产率分别在小于20% 和5% 的时间内与它们相应的测量值不同。这表明,在使用连续搅拌釜反应器的实验中发现的以非平衡静止状态考虑的葡萄糖异构酶可能接近熵产生密度最大的状态。

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