温度梯度驱动的化学反应-扩散系统中反应与输运通量的优化
Optimizing reaction and transport fluxes in temperature gradient-driven chemical reaction-diffusion systems
AI总结：
本文研究温度梯度驱动的一维化学反应-扩散系统，建立从双隔室模型推广到任意系统的理论框架，通过调节系统化学特性和温度梯度形状来优化非平衡输运或反应通量。
摘要：
温度梯度代表可被采集以产生稳态反应或输运通量的能量来源。技术发展可能实现将自由能从热源和热汇传递到化学系统，用于萃取、热电池或非平衡合成等目的。我们提出了对受温度梯度作用的一维化学系统的理论研究，以维持非平衡化学通量。一个完整的理论框架描述了由各种温度分布所诱导的系统行为。针对一个简单的双隔室模型建立了精确的数学推导，并基于数值模型将其推广到任意反应-扩散系统。最终对一个实验系统进行了规模调整和调谐，以优化非平衡化学输运或反应。确定了该描述的相关参数；这些参数聚焦于化学反应和输运的系统对称性。非平衡热力学方法得出一种类似于电路的描述。温度梯度导致稳态化学力的产生，该化学力维持由化学阻力调节的稳态反应-扩散通量。随后使用熵产生率作为系统耗散功率的度量来评估系统活性。系统的化学特性可以被调谐，以实现非平衡态的一般优化，或对输运过程或反应过程的特定优化。温度梯度的形状可以被定制，以精确控制活性过程的空间定位，目标可以是精确的空间定位或在大范围内的传播。由此产生的温度驱动化学系统进而可用于驱动次级过程进入非平衡反应通量或浓度梯度。
英文摘要：
Temperature gradients represent energy sources that can be harvested to generate steady reaction or transport fluxes. Technological developments could lead to the transfer of free energy from heat sources and sinks to chemical systems for the purpose of extraction, thermal batteries, or nonequilibrium synthesis. We present a theoretical study of 1D chemical systems subjected to temperature gradients, for sustaining nonequilibrium chemical fluxes. A complete theoretical framework describes the behavior of the system induced by various temperature profiles. An exact mathematical derivation was established for a simple two-compartment model and was generalized to arbitrary reaction-diffusion systems based on numerical models. An experimental system was eventually scaled and tuned to optimize either nonequilibrium chemical transport or reaction. The relevant parameters for this description were identified; they focused on the system symmetry for chemical reaction and transport. Nonequilibrium thermodynamic approaches lead to a description analogous to electric circuits. Temperature gradients lead to the onset of a steady chemical force, which maintains steady reaction-diffusion fluxes moderated by chemical resistance. The system activity was then assessed using the entropy production rate as a measure of its dissipated power. The chemical characteristics of the system can be tuned for general optimization of the nonequilibrium state or for the specific optimization of either transport or reaction processes. The shape of the temperature gradient can be tailored to precisely control the spatial localization of active processes, targeting either precise spatial localization or propagation over large areas. The resulting temperature-driven chemical system can in turn be used to drive secondary processes into either nonequilibrium reaction fluxes or concentration gradients.
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