Genes without prominence: a reappraisal of the foundations of biology

The sequencing of the human genome raises two intriguing questions: why has the prediction of the inheritance of common diseases from the presence of abnormal alleles proved so unrewarding in most cases and how can some 25 000 genes generate such a rich complexity evident in the human phenotype? It is proposed that light can be shed on these questions by viewing evolution and organisms as natural processes contingent on the second law of thermodynamics, equivalent to the principle of least action in its original form. Consequently, natural selection acts on variation in any mechanism that consumes energy from the environment rather than on genetic variation. According to this tenet cellular phenotype, represented by a minimum free energy attractor state comprising active gene products, has a causal role in giving rise, by a self-similar process of cell-to-cell interaction, to morphology and functionality in organisms, which, in turn, by a self-similar process entailing Darwin''s proportional numbers are influencing their ecosystems. Thus, genes are merely a means of specifying polypeptides: those that serve free energy consumption in a given surroundings contribute to cellular phenotype as determined by the phenotype. In such natural processes, everything depends on everything else, and phenotypes are emergent properties of their systems.     

A finite deformation constitutive model for shape memory polymers based on Hencky strain

In many engineering applications, shape memory polymers (SMPs) usually undergo arbitrary thermomechanical loadings at finite deformation. Thus, development of 3D constitutive models for SMPs within the finite deformation regime has attracted a great deal of interest. In this paper, based on the classical framework of thermodynamics of irreversible processes, employing the logarithmic (or Hencky) strain as a more physical measure of strain, a 3D large-strain macromechanical model is presented. In the constitutive model development, we adopt a multiplicative decomposition of the deformation gradient into elastic and stored parts. In addition, employing the averaging scheme, the logarithmic elastic strain tensor is decomposed into the rubbery and glassy parts. The evolution equations for internal variables are introduced for both cooling and heating processes. The time-discrete form of the proposed model in the implicit form is also presented. Comparing the predicted results with experimental data reported in the literature, the model is validated. Finally, using the finite element method, two boundary value problems e.g., a 3D beam and a medical stent made of SMPs are numerically simulated.     

Designing of anion‐functionalized ionic liquids for efficient capture of SO2 from flue gas

Five kinds of anion‐functionalized ionic liquids (ILs) with different basicity and substituent were selected, prepared and applied in the capture of SO₂ from flue gas, where the concentration of SO₂ is only 2000 ppm. The effect of the anion on SO₂ absorption capacity, desorption residue, and available absorption capacity under 2000 ppm was investigated. The relationship between available absorption capacity and absorption enthalpy was also studied. Through a combination of thermodynamic analysis and quantum calculation, the results indicated that the effect of the cation in the IL on absorption enthalpy was significant. However, the effect of chain length in the cation was weak. Hence, a new IL with low molecular weight, [P₄₄₄₂][Tetz], was further designed and applied for the capture of SO₂, which shows the high absorption capacity of 0.18 g SO₂ per g IL and excellent reversibility for 2000 ppm SO₂. © 2015 American Institute of Chemical Engineers AIChE J, 61: 2028–2034, 2015     

High‐throughput and comprehensive prediction of H2 adsorption in metal‐organic frameworks under various conditions

High‐throughput prediction of H₂ adsorption in metal‐organic framework (MOF) materials has been extended from a few specific conditions to the whole T, p space. The prediction is based on a classical density functional theory and has been implemented over 712 MOFs in 441 different conditions covering a wide range. Some testing materials show excellent behavior at low temperatures and obvious improvement at high temperatures compared to conventional MOFs. The structures of the best MOFs at high and low temperatures are totally different. Linear and nonlinear correlations between the two Langmuir parameters have been found at high and low temperatures, respectively. According to the analysis of the excess uptake, we found that the saturated pressure increases along with temperature in the low temperature region but decreases in the high temperature region. © 2015 American Institute of Chemical Engineers AIChE J, 61: 2951–2957, 2015     

Algorithmically imposed thermodynamic compliance for material models in mechanical simulations using the AIM method

Thermodynamic irreversibility can be imposed on empirical material behaviour by using an appropriate algorithm which takes the path‐dependence of the degradation process into account. This new algorithm, Algorithmically Imposed Mechanics (AIM), for algorithmically irreversible mechanics, is described, and the convergence and unicity of the solutions obtained are proven. AIM is applicable to a range of mechanical behaviour and is demonstrated to work in conjunction with non‐local damage with rotating cracks as well as a mixed plastic and damage behaviour. Copyright © 2015 John Wiley & Sons, Ltd.     

柴油中碱性氮在Hβ型分子筛上吸附的热力学及动力学

研究了Hβ型分子筛对直馏柴油中碱性氮化物静态吸附的热力学和动力学特征。热力学研究结果表明,使用Freundlich方程拟合静态吸附等温线效果较好;由于焓变大于零,所以吸附是吸热过程;由于吸附过程的焓变大于零且绝对值小于60 k J/mol,所以吸附过程以物理吸附为主;由于吉布斯自由能变小于零,所以吸附是自发过程。动力学研究结果表明,二级反应方程与实验数据间具有良好的相关性,吸附速率随操作温度的升高而增大,表观活化能为2.34 k J/mol。     

Heating load and COP optimisations for a universal steady flow endoreversible heat pump model

The heating load and coefficient of performance (COP) of a class of universal steady flow endoreversible heat pump cycle model, which consists of one heating branch, two cooling branches and two adiabatic branches, are optimised using the theory of finite time thermodynamics. The analytical formulae for heating load and COP versus temperature ratio as well as COP versus heating load of the cycle model are derived. Effects of the total heat exchanger inventory on performances of heat pump cycles are shown by detailed numerical examples. The results obtained herein include the optimal performances of endoreversible Otto, Brayton, Atkinson, Diesel, Dual and Carnot heat pump cycles.     

Optimal performance for a steady-flow endoreversible refrigerator model including five typical cycles

The optimal performance of a universal endoreversible steady-flow refrigerator cycle consisting of a constant thermal-capacity heating branch, a constant thermal-capacity cooling branch and two adiabatic branches with heat transfer loss was analysed using finite-time thermodynamics. The analytical formulae about cooling load, coefficient of performance, exergy loss rate, exergy output rate and ecological criterion of the endoreversible steady-flow refrigerator cycle are derived. Moreover, analysis and optimisation of the model were carried out in order to investigate the effect of the cycle process on the performance of the cycles using numerical examples. The results obtained include the performance characteristics of endoreversible steady-flow Carnot, Diesel, Otto, Atkinson and Brayton refrigeration cycles. The results can provide some theoretical guidance for the design of practical refrigerators.     

Thermodynamic aspects of power generation in imperfect fuel cells: part II

This research continues the thermodynamic analysis of steady-state solid oxide fuel cells initiated in Sieniutycz (Sieniutycz, S., 2010, Thermodynamic aspects of power generation in imperfect fuel cells: part I. International Journal of Ambient Energy, 31 (4), 195–202). This analysis focuses on the effect of incomplete conversions in chemical reactions. A general approach is developed that attributes lowering of the cell voltage below its reversible value to polarisations and imperfect chemical conversions. Relevant model, appropriate for systems with complete conversions, is extended to imperfect cases. The performance curves of a fuel cell and the effect of typical design and operating parameters on the cell behaviour are analysed. A general result is obtained for power limits of fuel cells propelled by linear transport phenomena.