英译中 机器的不要DEVELOPMENT OF THE KINETIC PHYSICAL–CHEMICAMODELSin

英译中 机器的不要
DEVELOPMENT OF THE KINETIC PHYSICAL–CHEMICA
MODEL
Single phase:aqueous phase mixed weak acid/base chemistry
Equilibrium chemistry based algorithms for mixed weak acid/base systems are well established (e.g.Loewenthal et al.,1988,1991).However,in developing the integrated model difficulties were encountered with the traditional equilibrium approach in particular in selection of the reference species,simultaneous solution of a number of weak acid/base equilibrium state equations and integration of equilibrium chemistry with kinetic based models (Musvoto et al.,1997,1998).Accordingly,it was decided to develop a new approach based on kinetics to model weak acid/base chemistry.In the kinetic-based modelling approach,H is included explicitly in the model as a compound (in mole units) and the pH is calculated directly from the H+ concentration via pH=log(H )=-log fm[H+ ].Further,all weak acid/base species that significantly influence the pH are included as compounds (in mol),and weak acid/base equilibria are described in terms of the kinetics of the forward and reverse reactions for the dissociation of these weak acid/ weak acid/bases.For example,consider the dissociation for the ammonium/ammonia (NH+4 /NH3)
weak acid/base:
NH4+ ≈H++ NH3 （1）
The rate of the forward reaction is
rf= Kf（NH4+ ）= Kf fm [NH4+] = Kf ‘[NH4+],（2）
where rf is the rate of forward reaction; Kf the specific rate constant for the forward reaction; ( ) the activity; fm the monovalent activity coefficient(see Loewenthal et al.,1989); [ ] the molar concentration and Kf’ the apparent specific rate constant for the forward reaction.The rate of the reverse is
rf= Kr（NH3）（H+）=Kr fm[NH3]fm[H+]
= Kr ‘[NH3]fm[H+] （3）
where rr is the rate of reverse reaction; Kr the specific rate constant for the reverse reaction and Kf’ the apparent specific rate constant for the reverse reaction.

反应动力学物理化学的进展
模型
单相：水相混合弱酸性/基础化学
.平衡化学是基于混合弱酸算法/基础系统而建立起来的(如洛文塔尔等.,1988年,1991年) 然而,改进联合模型的困难在于传统平衡算法对特殊参照物的选择,要解开一连串的弱酸/基础平衡设置问题和模型上反应动力学的平衡化学的联合算法.( 穆斯弗托等,1997,1998)
因此,需要一个在弱酸/基础化学模型上的新算法.在反应动力学建模方法下,H被明确列为化合物(摩尔单位),PH则直接设为从H+经过pH=log(H )=-log fm[H+ ].提纯.另外,所有的弱酸/基于核素显著地影响PH,包括化合物(摩尔),及弱酸/按照反应动力学的正向和反向的平衡来离解这些弱酸/弱酸/基础物质…
例如,在计算离解为铵/氨
弱酸性/基:
NH4+ ≈H++ NH3 （1）
The rate of the forward reaction is 率的前瞻性反应
rf= Kf（NH4+ ）= Kf fm [NH4+] = Kf ‘[NH4+],（2）
这里rf是着反应的率,Kf是着具体的比速率常数; ( ) 放射性; fm表一价的活跃系数(罗文达等,1989); [ ]表摩尔浓度,Kf表具体比率常数的前瞻性反应:
反向率为
rf= Kr（NH3）（H+）=Kr fm[NH3]fm[H+]
= Kr ‘[NH3]fm[H+] （3）
这里rr表逆反应,Kr表着反应率常数的逆反应,Kf’表明显具体数率的常数的逆反应.